7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[4-fluoro-7-[(4-methyl-3-pyridinyl)methyl]quinolin-2-yl]ethanone;4-(4-fluorophenyl)-7-(pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide

C83H66F3N15O4 — CID 159722317

IUPAC7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[4-fluoro-7-[(4-methyl-3-pyridinyl)methyl]quinolin-2-yl]ethanone;4-(4-fluorophenyl)-7-(pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide
SMILESCC(=O)c1cc(F)c2ccc(Cc3cnccc3C)cc2n1.Cn1cc(-c2cc(C(N)=O)nc3cc(Cc4cnc(C5CC5)nc4)ccc23)cn1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3cccnc3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3cncnc3)cc2n1
InChIInChI=1S/C22H16FN3O.C22H20N6O.C21H15FN4O.C18H15FN2O/c23-17-6-4-16(5-7-17)19-12-21(22(24)27)26-20-11-14(3-8-18(19)20)10-15-2-1-9-25-13-15;1-28-12-16(11-26-28)18-8-20(21(23)29)27-19-7-13(2-5-17(18)19)6-14-9-24-22(25-10-14)15-3-4-15;22-16-4-2-15(3-5-16)18-9-20(21(23)27)26-19-8-13(1-6-17(18)19)7-14-10-24-12-25-11-14;1-11-5-6-20-10-14(11)7-13-3-4-15-16(19)9-17(12(2)22)21-18(15)8-13/h1-9,11-13H,10H2,(H2,24,27);2,5,7-12,15H,3-4,6H2,1H3,(H2,23,29);1-6,8-12H,7H2,(H2,23,27);3-6,8-10H,7H2,1-2H3
InChIKeyNAEQXVKQMMDUMX-UHFFFAOYSA-N
MW1394.54 g/mol
LogP14.51
Rot. Bonds16

About 7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[4-fluoro-7-[(4-methyl-3-pyridinyl)methyl]quinolin-2-yl]ethanone;4-(4-fluorophenyl)-7-(pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide

7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[4-fluoro-7-[(4-methyl-3-pyridinyl)methyl]quinolin-2-yl]ethanone;4-(4-fluorophenyl)-7-(pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide (PubChem CID 159722317) has the molecular formula C83H66F3N15O4 and a molecular weight of 1394.54 g/mol. Its IUPAC name is 7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[4-fluoro-7-[(4-methyl-3-pyridinyl)methyl]quinolin-2-yl]ethanone;4-(4-fluorophenyl)-7-(pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[4-fluoro-7-[(4-methyl-3-pyridinyl)methyl]quinolin-2-yl]ethanone;4-(4-fluorophenyl)-7-(pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide
PubChem CID159722317
Molecular FormulaC83H66F3N15O4
Molecular Weight1394.54 g/mol
Exact Mass1393.54
IUPAC Name7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[4-fluoro-7-[(4-methyl-3-pyridinyl)methyl]quinolin-2-yl]ethanone;4-(4-fluorophenyl)-7-(pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide
SMILESCC(=O)c1cc(F)c2ccc(Cc3cnccc3C)cc2n1.Cn1cc(-c2cc(C(N)=O)nc3cc(Cc4cnc(C5CC5)nc4)ccc23)cn1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3cccnc3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3cncnc3)cc2n1
InChIInChI=1S/C22H16FN3O.C22H20N6O.C21H15FN4O.C18H15FN2O/c23-17-6-4-16(5-7-17)19-12-21(22(24)27)26-20-11-14(3-8-18(19)20)10-15-2-1-9-25-13-15;1-28-12-16(11-26-28)18-8-20(21(23)29)27-19-7-13(2-5-17(18)19)6-14-9-24-22(25-10-14)15-3-4-15;22-16-4-2-15(3-5-16)18-9-20(21(23)27)26-19-8-13(1-6-17(18)19)7-14-10-24-12-25-11-14;1-11-5-6-20-10-14(11)7-13-3-4-15-16(19)9-17(12(2)22)21-18(15)8-13/h1-9,11-13H,10H2,(H2,24,27);2,5,7-12,15H,3-4,6H2,1H3,(H2,23,29);1-6,8-12H,7H2,(H2,23,27);3-6,8-10H,7H2,1-2H3
InChIKeyNAEQXVKQMMDUMX-UHFFFAOYSA-N
XLogP14.51
TPSA293.06 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001394.54
LogP ≤ 514.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Analyze 7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[4-fluoro-7-[(4-methyl-3-pyridinyl)methyl]quinolin-2-yl]ethanone;4-(4-fluorophenyl)-7-(pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide with MolForge

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Related Compounds

7-((2-Cyclopropylpyrimidin-5-yl)methyl)-4-(1-methyl-1H-pyrazol-4-yl)quinoline-2-carboxamide
CID 71566130
7-[(2-Cyclopropylpyrimidin-5-yl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
CID 89554868
7-[(2-Cyclopropylpyrimidin-5-yl)methyl]-8-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide
CID 89554931
7-[(2-Fluoropyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
CID 89554959
7-[(2-Chloro-5-pyrimidinyl)methyl]-4-(1-methyl-1H-pyrazol-4-yl)-2-quinolinecarboxamide
CID 89554971
7-[(2-Methoxy-5-pyrimidinyl)methyl]-4-(1-methyl-1H-pyrazol-4-yl)-2-quinolinecarboxamide
CID 117642070
7-[2-[2-(Fluoromethyl)pyrimidin-5-yl]ethyl]-4-(4-fluorophenyl)quinoline-2-carboxamide
CID 172440774
4-(4-Fluorophenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide
CID 172443728
4-(1-Methylpyrazol-4-yl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide
CID 172455421
4-(2-Fluoro-4-methylphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide
CID 172456888
Bis[5-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-2-phenylquinazolin-4-yl]methanone
CID 89801816
6-[[4-[(3-methylpyridine-4-carbonyl)amino]-6-pyridin-2-yl-1,3,5-triazin-2-yl]methyl]-N-[4-[[2-[[5-[(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)carbamoyl]-1H-pyrazol-3-yl]amino]phenyl]methyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
CID 91223644

Frequently Asked Questions

What is the IUPAC name of 7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[4-fluoro-7-[(4-methyl-3-pyridinyl)methyl]quinolin-2-yl]ethanone;4-(4-fluorophenyl)-7-(pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide?
The IUPAC name of 7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[4-fluoro-7-[(4-methyl-3-pyridinyl)methyl]quinolin-2-yl]ethanone;4-(4-fluorophenyl)-7-(pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide (CID 159722317) is 7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[4-fluoro-7-[(4-methyl-3-pyridinyl)methyl]quinolin-2-yl]ethanone;4-(4-fluorophenyl)-7-(pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide.
What is the SMILES notation for 7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[4-fluoro-7-[(4-methyl-3-pyridinyl)methyl]quinolin-2-yl]ethanone;4-(4-fluorophenyl)-7-(pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide?
The canonical SMILES for 7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[4-fluoro-7-[(4-methyl-3-pyridinyl)methyl]quinolin-2-yl]ethanone;4-(4-fluorophenyl)-7-(pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide is CC(=O)c1cc(F)c2ccc(Cc3cnccc3C)cc2n1.Cn1cc(-c2cc(C(N)=O)nc3cc(Cc4cnc(C5CC5)nc4)ccc23)cn1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3cccnc3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3cncnc3)cc2n1.
What is the InChIKey of 7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[4-fluoro-7-[(4-methyl-3-pyridinyl)methyl]quinolin-2-yl]ethanone;4-(4-fluorophenyl)-7-(pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide?
The InChIKey is NAEQXVKQMMDUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O.C22H20N6O.C21H15FN4O.C18H15FN2O/c23-17-6-4-16(5-7-17)19-12-21(22(24)27)26-20-11-14(3-8-18(19)20)10-15-2-1-9-25-13-15;1-28-12-16(11-26-28)18-8-20(21(23)29)27-19-7-13(2-5-17(18)19)6-14-9-24-22(25-10-14)15-3-4-15;22-16-4-2-15(3-5-16)18-9-20(21(23)27)26-19-8-13(1-6-17(18)19)7-14-10-24-12-25-11-14;1-11-5-6-20-10-14(11)7-13-3-4-15-16(19)9-17(12(2)22)21-18(15)8-13/h1-9,11-13H,10H2,(H2,24,27);2,5,7-12,15H,3-4,6H2,1H3,(H2,23,29);1-6,8-12H,7H2,(H2,23,27);3-6,8-10H,7H2,1-2H3.
What are the key properties of 7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[4-fluoro-7-[(4-methyl-3-pyridinyl)methyl]quinolin-2-yl]ethanone;4-(4-fluorophenyl)-7-(pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide?
7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[4-fluoro-7-[(4-methyl-3-pyridinyl)methyl]quinolin-2-yl]ethanone;4-(4-fluorophenyl)-7-(pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide has a molecular weight of 1394.54 g/mol, XLogP of 14.51, 16 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[4-fluoro-7-[(4-methyl-3-pyridinyl)methyl]quinolin-2-yl]ethanone;4-(4-fluorophenyl)-7-(pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide is sourced from PubChem (CID 159722317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).