N-[6-[3-(1,1-difluoroethyl)phenyl]pyrido[3,2-d]pyrimidin-4-yl]benzamide;N-[2-[3-(1,1-difluoroethyl)phenyl]quinolin-8-yl]-3-(2-morpholin-4-ylethoxy)benzamide;1-[2-[3-(1-fluoroethyl)phenyl]quinolin-8-yl]-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethanone;2-[2-(1-fluoroethyl)-4-pyridinyl]-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[2-(1-fluoroethyl)-4-pyridinyl]-N-pyrimidin-4-ylquinoline-8-carboxamide;3-(2-piperidin-1-ylethoxy)-N-(2-pyridin-3-ylquinolin-8-yl)benzamide

C159H146F7N23O10 — CID 157127951

IUPACN-[6-[3-(1,1-difluoroethyl)phenyl]pyrido[3,2-d]pyrimidin-4-yl]benzamide;N-[2-[3-(1,1-difluoroethyl)phenyl]quinolin-8-yl]-3-(2-morpholin-4-ylethoxy)benzamide;1-[2-[3-(1-fluoroethyl)phenyl]quinolin-8-yl]-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethanone;2-[2-(1-fluoroethyl)-4-pyridinyl]-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[2-(1-fluoroethyl)-4-pyridinyl]-N-pyrimidin-4-ylquinoline-8-carboxamide;3-(2-piperidin-1-ylethoxy)-N-(2-pyridin-3-ylquinolin-8-yl)benzamide
SMILESCC(F)(F)c1cccc(-c2ccc3cccc(NC(=O)c4cccc(OCCN5CCOCC5)c4)c3n2)c1.CC(F)(F)c1cccc(-c2ccc3ncnc(NC(=O)c4ccccc4)c3n2)c1.CC(F)c1cc(-c2ccc3cccc(C(=O)Nc4cccc(CN5CCOCC5)c4)c3n2)ccn1.CC(F)c1cc(-c2ccc3cccc(C(=O)Nc4ccncn4)c3n2)ccn1.CC(F)c1cccc(-c2ccc3cccc(C(=O)CNc4cccc(CN5CCCC5)c4)c3n2)c1.O=C(Nc1cccc2ccc(-c3cccnc3)nc12)c1cccc(OCCN2CCCCC2)c1
InChIInChI=1S/C30H29F2N3O3.C30H30FN3O.C28H27FN4O2.C28H28N4O2.C22H16F2N4O.C21H16FN5O/c1-30(31,32)24-8-2-6-22(19-24)26-12-11-21-5-4-10-27(28(21)33-26)34-29(36)23-7-3-9-25(20-23)38-18-15-35-13-16-37-17-14-35;1-21(31)24-9-5-10-25(18-24)28-14-13-23-8-6-12-27(30(23)33-28)29(35)19-32-26-11-4-7-22(17-26)20-34-15-2-3-16-34;1-19(29)26-17-22(10-11-30-26)25-9-8-21-5-3-7-24(27(21)32-25)28(34)31-23-6-2-4-20(16-23)18-33-12-14-35-15-13-33;33-28(22-8-4-10-24(19-22)34-18-17-32-15-2-1-3-16-32)31-26-11-5-7-21-12-13-25(30-27(21)26)23-9-6-14-29-20-23;1-22(23,24)16-9-5-8-15(12-16)17-10-11-18-19(27-17)20(26-13-25-18)28-21(29)14-6-3-2-4-7-14;1-13(22)18-11-15(7-10-24-18)17-6-5-14-3-2-4-16(20(14)26-17)21(28)27-19-8-9-23-12-25-19/h2-12,19-20H,13-18H2,1H3,(H,34,36);4-14,17-18,21,32H,2-3,15-16,19-20H2,1H3;2-11,16-17,19H,12-15,18H2,1H3,(H,31,34);4-14,19-20H,1-3,15-18H2,(H,31,33);2-13H,1H3,(H,25,26,28,29);2-13H,1H3,(H,23,25,27,28)
InChIKeyAISLURRCSBKKSZ-UHFFFAOYSA-N
MW2672.05 g/mol
LogP33.05
Rot. Bonds37

About N-[6-[3-(1,1-difluoroethyl)phenyl]pyrido[3,2-d]pyrimidin-4-yl]benzamide;N-[2-[3-(1,1-difluoroethyl)phenyl]quinolin-8-yl]-3-(2-morpholin-4-ylethoxy)benzamide;1-[2-[3-(1-fluoroethyl)phenyl]quinolin-8-yl]-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethanone;2-[2-(1-fluoroethyl)-4-pyridinyl]-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[2-(1-fluoroethyl)-4-pyridinyl]-N-pyrimidin-4-ylquinoline-8-carboxamide;3-(2-piperidin-1-ylethoxy)-N-(2-pyridin-3-ylquinolin-8-yl)benzamide

N-[6-[3-(1,1-difluoroethyl)phenyl]pyrido[3,2-d]pyrimidin-4-yl]benzamide;N-[2-[3-(1,1-difluoroethyl)phenyl]quinolin-8-yl]-3-(2-morpholin-4-ylethoxy)benzamide;1-[2-[3-(1-fluoroethyl)phenyl]quinolin-8-yl]-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethanone;2-[2-(1-fluoroethyl)-4-pyridinyl]-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[2-(1-fluoroethyl)-4-pyridinyl]-N-pyrimidin-4-ylquinoline-8-carboxamide;3-(2-piperidin-1-ylethoxy)-N-(2-pyridin-3-ylquinolin-8-yl)benzamide (PubChem CID 157127951) has the molecular formula C159H146F7N23O10 and a molecular weight of 2672.05 g/mol. Its IUPAC name is N-[6-[3-(1,1-difluoroethyl)phenyl]pyrido[3,2-d]pyrimidin-4-yl]benzamide;N-[2-[3-(1,1-difluoroethyl)phenyl]quinolin-8-yl]-3-(2-morpholin-4-ylethoxy)benzamide;1-[2-[3-(1-fluoroethyl)phenyl]quinolin-8-yl]-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethanone;2-[2-(1-fluoroethyl)-4-pyridinyl]-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[2-(1-fluoroethyl)-4-pyridinyl]-N-pyrimidin-4-ylquinoline-8-carboxamide;3-(2-piperidin-1-ylethoxy)-N-(2-pyridin-3-ylquinolin-8-yl)benzamide.

Molecular Properties

Compound NameN-[6-[3-(1,1-difluoroethyl)phenyl]pyrido[3,2-d]pyrimidin-4-yl]benzamide;N-[2-[3-(1,1-difluoroethyl)phenyl]quinolin-8-yl]-3-(2-morpholin-4-ylethoxy)benzamide;1-[2-[3-(1-fluoroethyl)phenyl]quinolin-8-yl]-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethanone;2-[2-(1-fluoroethyl)-4-pyridinyl]-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[2-(1-fluoroethyl)-4-pyridinyl]-N-pyrimidin-4-ylquinoline-8-carboxamide;3-(2-piperidin-1-ylethoxy)-N-(2-pyridin-3-ylquinolin-8-yl)benzamide
PubChem CID157127951
Molecular FormulaC159H146F7N23O10
Molecular Weight2672.05 g/mol
Exact Mass2670.15
IUPAC NameN-[6-[3-(1,1-difluoroethyl)phenyl]pyrido[3,2-d]pyrimidin-4-yl]benzamide;N-[2-[3-(1,1-difluoroethyl)phenyl]quinolin-8-yl]-3-(2-morpholin-4-ylethoxy)benzamide;1-[2-[3-(1-fluoroethyl)phenyl]quinolin-8-yl]-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethanone;2-[2-(1-fluoroethyl)-4-pyridinyl]-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[2-(1-fluoroethyl)-4-pyridinyl]-N-pyrimidin-4-ylquinoline-8-carboxamide;3-(2-piperidin-1-ylethoxy)-N-(2-pyridin-3-ylquinolin-8-yl)benzamide
SMILESCC(F)(F)c1cccc(-c2ccc3cccc(NC(=O)c4cccc(OCCN5CCOCC5)c4)c3n2)c1.CC(F)(F)c1cccc(-c2ccc3ncnc(NC(=O)c4ccccc4)c3n2)c1.CC(F)c1cc(-c2ccc3cccc(C(=O)Nc4cccc(CN5CCOCC5)c4)c3n2)ccn1.CC(F)c1cc(-c2ccc3cccc(C(=O)Nc4ccncn4)c3n2)ccn1.CC(F)c1cccc(-c2ccc3cccc(C(=O)CNc4cccc(CN5CCCC5)c4)c3n2)c1.O=C(Nc1cccc2ccc(-c3cccnc3)nc12)c1cccc(OCCN2CCCCC2)c1
InChIInChI=1S/C30H29F2N3O3.C30H30FN3O.C28H27FN4O2.C28H28N4O2.C22H16F2N4O.C21H16FN5O/c1-30(31,32)24-8-2-6-22(19-24)26-12-11-21-5-4-10-27(28(21)33-26)34-29(36)23-7-3-9-25(20-23)38-18-15-35-13-16-37-17-14-35;1-21(31)24-9-5-10-25(18-24)28-14-13-23-8-6-12-27(30(23)33-28)29(35)19-32-26-11-4-7-22(17-26)20-34-15-2-3-16-34;1-19(29)26-17-22(10-11-30-26)25-9-8-21-5-3-7-24(27(21)32-25)28(34)31-23-6-2-4-20(16-23)18-33-12-14-35-15-13-33;33-28(22-8-4-10-24(19-22)34-18-17-32-15-2-1-3-16-32)31-26-11-5-7-21-12-13-25(30-27(21)26)23-9-6-14-29-20-23;1-22(23,24)16-9-5-8-15(12-16)17-10-11-18-19(27-17)20(26-13-25-18)28-21(29)14-6-3-2-4-7-14;1-13(22)18-11-15(7-10-24-18)17-6-5-14-3-2-4-16(20(14)26-17)21(28)27-19-8-9-23-12-25-19/h2-12,19-20H,13-18H2,1H3,(H,34,36);4-14,17-18,21,32H,2-3,15-16,19-20H2,1H3;2-11,16-17,19H,12-15,18H2,1H3,(H,31,34);4-14,19-20H,1-3,15-18H2,(H,31,33);2-13H,1H3,(H,25,26,28,29);2-13H,1H3,(H,23,25,27,28)
InChIKeyAISLURRCSBKKSZ-UHFFFAOYSA-N
XLogP33.05
TPSA392.05 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds37
Heavy Atoms199
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002672.05
LogP ≤ 533.05
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

Analyze N-[6-[3-(1,1-difluoroethyl)phenyl]pyrido[3,2-d]pyrimidin-4-yl]benzamide;N-[2-[3-(1,1-difluoroethyl)phenyl]quinolin-8-yl]-3-(2-morpholin-4-ylethoxy)benzamide;1-[2-[3-(1-fluoroethyl)phenyl]quinolin-8-yl]-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethanone;2-[2-(1-fluoroethyl)-4-pyridinyl]-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[2-(1-fluoroethyl)-4-pyridinyl]-N-pyrimidin-4-ylquinoline-8-carboxamide;3-(2-piperidin-1-ylethoxy)-N-(2-pyridin-3-ylquinolin-8-yl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(1,1-difluoroethyl)phenyl]pyrido[3,2-d]pyrimidin-4-yl]benzamide;N-[2-[3-(1,1-difluoroethyl)phenyl]quinolin-8-yl]-3-(2-morpholin-4-ylethoxy)benzamide;1-[2-[3-(1-fluoroethyl)phenyl]quinolin-8-yl]-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethanone;2-[2-(1-fluoroethyl)-4-pyridinyl]-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[2-(1-fluoroethyl)-4-pyridinyl]-N-pyrimidin-4-ylquinoline-8-carboxamide;3-(2-piperidin-1-ylethoxy)-N-(2-pyridin-3-ylquinolin-8-yl)benzamide?
The IUPAC name of N-[6-[3-(1,1-difluoroethyl)phenyl]pyrido[3,2-d]pyrimidin-4-yl]benzamide;N-[2-[3-(1,1-difluoroethyl)phenyl]quinolin-8-yl]-3-(2-morpholin-4-ylethoxy)benzamide;1-[2-[3-(1-fluoroethyl)phenyl]quinolin-8-yl]-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethanone;2-[2-(1-fluoroethyl)-4-pyridinyl]-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[2-(1-fluoroethyl)-4-pyridinyl]-N-pyrimidin-4-ylquinoline-8-carboxamide;3-(2-piperidin-1-ylethoxy)-N-(2-pyridin-3-ylquinolin-8-yl)benzamide (CID 157127951) is N-[6-[3-(1,1-difluoroethyl)phenyl]pyrido[3,2-d]pyrimidin-4-yl]benzamide;N-[2-[3-(1,1-difluoroethyl)phenyl]quinolin-8-yl]-3-(2-morpholin-4-ylethoxy)benzamide;1-[2-[3-(1-fluoroethyl)phenyl]quinolin-8-yl]-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethanone;2-[2-(1-fluoroethyl)-4-pyridinyl]-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[2-(1-fluoroethyl)-4-pyridinyl]-N-pyrimidin-4-ylquinoline-8-carboxamide;3-(2-piperidin-1-ylethoxy)-N-(2-pyridin-3-ylquinolin-8-yl)benzamide.
What is the SMILES notation for N-[6-[3-(1,1-difluoroethyl)phenyl]pyrido[3,2-d]pyrimidin-4-yl]benzamide;N-[2-[3-(1,1-difluoroethyl)phenyl]quinolin-8-yl]-3-(2-morpholin-4-ylethoxy)benzamide;1-[2-[3-(1-fluoroethyl)phenyl]quinolin-8-yl]-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethanone;2-[2-(1-fluoroethyl)-4-pyridinyl]-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[2-(1-fluoroethyl)-4-pyridinyl]-N-pyrimidin-4-ylquinoline-8-carboxamide;3-(2-piperidin-1-ylethoxy)-N-(2-pyridin-3-ylquinolin-8-yl)benzamide?
The canonical SMILES for N-[6-[3-(1,1-difluoroethyl)phenyl]pyrido[3,2-d]pyrimidin-4-yl]benzamide;N-[2-[3-(1,1-difluoroethyl)phenyl]quinolin-8-yl]-3-(2-morpholin-4-ylethoxy)benzamide;1-[2-[3-(1-fluoroethyl)phenyl]quinolin-8-yl]-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethanone;2-[2-(1-fluoroethyl)-4-pyridinyl]-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[2-(1-fluoroethyl)-4-pyridinyl]-N-pyrimidin-4-ylquinoline-8-carboxamide;3-(2-piperidin-1-ylethoxy)-N-(2-pyridin-3-ylquinolin-8-yl)benzamide is CC(F)(F)c1cccc(-c2ccc3cccc(NC(=O)c4cccc(OCCN5CCOCC5)c4)c3n2)c1.CC(F)(F)c1cccc(-c2ccc3ncnc(NC(=O)c4ccccc4)c3n2)c1.CC(F)c1cc(-c2ccc3cccc(C(=O)Nc4cccc(CN5CCOCC5)c4)c3n2)ccn1.CC(F)c1cc(-c2ccc3cccc(C(=O)Nc4ccncn4)c3n2)ccn1.CC(F)c1cccc(-c2ccc3cccc(C(=O)CNc4cccc(CN5CCCC5)c4)c3n2)c1.O=C(Nc1cccc2ccc(-c3cccnc3)nc12)c1cccc(OCCN2CCCCC2)c1.
What is the InChIKey of N-[6-[3-(1,1-difluoroethyl)phenyl]pyrido[3,2-d]pyrimidin-4-yl]benzamide;N-[2-[3-(1,1-difluoroethyl)phenyl]quinolin-8-yl]-3-(2-morpholin-4-ylethoxy)benzamide;1-[2-[3-(1-fluoroethyl)phenyl]quinolin-8-yl]-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethanone;2-[2-(1-fluoroethyl)-4-pyridinyl]-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[2-(1-fluoroethyl)-4-pyridinyl]-N-pyrimidin-4-ylquinoline-8-carboxamide;3-(2-piperidin-1-ylethoxy)-N-(2-pyridin-3-ylquinolin-8-yl)benzamide?
The InChIKey is AISLURRCSBKKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F2N3O3.C30H30FN3O.C28H27FN4O2.C28H28N4O2.C22H16F2N4O.C21H16FN5O/c1-30(31,32)24-8-2-6-22(19-24)26-12-11-21-5-4-10-27(28(21)33-26)34-29(36)23-7-3-9-25(20-23)38-18-15-35-13-16-37-17-14-35;1-21(31)24-9-5-10-25(18-24)28-14-13-23-8-6-12-27(30(23)33-28)29(35)19-32-26-11-4-7-22(17-26)20-34-15-2-3-16-34;1-19(29)26-17-22(10-11-30-26)25-9-8-21-5-3-7-24(27(21)32-25)28(34)31-23-6-2-4-20(16-23)18-33-12-14-35-15-13-33;33-28(22-8-4-10-24(19-22)34-18-17-32-15-2-1-3-16-32)31-26-11-5-7-21-12-13-25(30-27(21)26)23-9-6-14-29-20-23;1-22(23,24)16-9-5-8-15(12-16)17-10-11-18-19(27-17)20(26-13-25-18)28-21(29)14-6-3-2-4-7-14;1-13(22)18-11-15(7-10-24-18)17-6-5-14-3-2-4-16(20(14)26-17)21(28)27-19-8-9-23-12-25-19/h2-12,19-20H,13-18H2,1H3,(H,34,36);4-14,17-18,21,32H,2-3,15-16,19-20H2,1H3;2-11,16-17,19H,12-15,18H2,1H3,(H,31,34);4-14,19-20H,1-3,15-18H2,(H,31,33);2-13H,1H3,(H,25,26,28,29);2-13H,1H3,(H,23,25,27,28).
What are the key properties of N-[6-[3-(1,1-difluoroethyl)phenyl]pyrido[3,2-d]pyrimidin-4-yl]benzamide;N-[2-[3-(1,1-difluoroethyl)phenyl]quinolin-8-yl]-3-(2-morpholin-4-ylethoxy)benzamide;1-[2-[3-(1-fluoroethyl)phenyl]quinolin-8-yl]-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethanone;2-[2-(1-fluoroethyl)-4-pyridinyl]-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[2-(1-fluoroethyl)-4-pyridinyl]-N-pyrimidin-4-ylquinoline-8-carboxamide;3-(2-piperidin-1-ylethoxy)-N-(2-pyridin-3-ylquinolin-8-yl)benzamide?
N-[6-[3-(1,1-difluoroethyl)phenyl]pyrido[3,2-d]pyrimidin-4-yl]benzamide;N-[2-[3-(1,1-difluoroethyl)phenyl]quinolin-8-yl]-3-(2-morpholin-4-ylethoxy)benzamide;1-[2-[3-(1-fluoroethyl)phenyl]quinolin-8-yl]-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethanone;2-[2-(1-fluoroethyl)-4-pyridinyl]-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[2-(1-fluoroethyl)-4-pyridinyl]-N-pyrimidin-4-ylquinoline-8-carboxamide;3-(2-piperidin-1-ylethoxy)-N-(2-pyridin-3-ylquinolin-8-yl)benzamide has a molecular weight of 2672.05 g/mol, XLogP of 33.05, 37 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(1,1-difluoroethyl)phenyl]pyrido[3,2-d]pyrimidin-4-yl]benzamide;N-[2-[3-(1,1-difluoroethyl)phenyl]quinolin-8-yl]-3-(2-morpholin-4-ylethoxy)benzamide;1-[2-[3-(1-fluoroethyl)phenyl]quinolin-8-yl]-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethanone;2-[2-(1-fluoroethyl)-4-pyridinyl]-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[2-(1-fluoroethyl)-4-pyridinyl]-N-pyrimidin-4-ylquinoline-8-carboxamide;3-(2-piperidin-1-ylethoxy)-N-(2-pyridin-3-ylquinolin-8-yl)benzamide is sourced from PubChem (CID 157127951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).