8-[3-(difluoromethoxy)phenyl]-N-[2-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]quinoline-2-carboxamide

C26H23F2N5O2 — CID 70853145

IUPAC8-[3-(difluoromethoxy)phenyl]-N-[2-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]quinoline-2-carboxamide
SMILESO=C(Nc1ccnc(CN2CCCC2)n1)c1ccc2cccc(-c3cccc(OC(F)F)c3)c2n1
InChIInChI=1S/C26H23F2N5O2/c27-26(28)35-19-7-3-6-18(15-19)20-8-4-5-17-9-10-21(30-24(17)20)25(34)32-22-11-12-29-23(31-22)16-33-13-1-2-14-33/h3-12,15,26H,1-2,13-14,16H2,(H,29,31,32,34)
InChIKeyRXIIUPRRWPKCCD-UHFFFAOYSA-N
MW475.50 g/mol
LogP5.14
Rot. Bonds7

About 8-[3-(difluoromethoxy)phenyl]-N-[2-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]quinoline-2-carboxamide

8-[3-(difluoromethoxy)phenyl]-N-[2-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]quinoline-2-carboxamide (PubChem CID 70853145) has the molecular formula C26H23F2N5O2 and a molecular weight of 475.50 g/mol. Its IUPAC name is 8-[3-(difluoromethoxy)phenyl]-N-[2-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]quinoline-2-carboxamide.

Molecular Properties

Compound Name8-[3-(difluoromethoxy)phenyl]-N-[2-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]quinoline-2-carboxamide
PubChem CID70853145
Molecular FormulaC26H23F2N5O2
Molecular Weight475.50 g/mol
Exact Mass475.18
IUPAC Name8-[3-(difluoromethoxy)phenyl]-N-[2-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]quinoline-2-carboxamide
SMILESO=C(Nc1ccnc(CN2CCCC2)n1)c1ccc2cccc(-c3cccc(OC(F)F)c3)c2n1
InChIInChI=1S/C26H23F2N5O2/c27-26(28)35-19-7-3-6-18(15-19)20-8-4-5-17-9-10-21(30-24(17)20)25(34)32-22-11-12-29-23(31-22)16-33-13-1-2-14-33/h3-12,15,26H,1-2,13-14,16H2,(H,29,31,32,34)
InChIKeyRXIIUPRRWPKCCD-UHFFFAOYSA-N
XLogP5.14
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.50
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-[3-(difluoromethoxy)phenyl]-N-[2-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]quinoline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(pyrrolidin-1-ylmethyl)phenyl]-8-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide
CID 70853124
N-pyrazin-2-yl-8-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoline-2-carboxamide
CID 70853008
8-[3-(difluoromethyl)phenyl]-N-pyrimidin-4-ylquinoline-2-carboxamide
CID 70852962
N-(6-pyrrolidin-1-yl-2-pyridinyl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide
CID 70853301
N-pyridin-3-yl-8-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide
CID 70852951
8-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide
CID 87282886
N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide
CID 89033948
2-pyridin-3-yl-N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide
CID 58154715
N-(2-morpholin-4-yl-4-pyridinyl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide
CID 70853123
N-[2-(2,3-dihydroxypropoxy)-4-pyridinyl]-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide
CID 70852931
2-[3-(difluoromethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide
CID 58154754
N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]quinoline-8-carboxamide
CID 44553756

Frequently Asked Questions

What is the IUPAC name of 8-[3-(difluoromethoxy)phenyl]-N-[2-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]quinoline-2-carboxamide?
The IUPAC name of 8-[3-(difluoromethoxy)phenyl]-N-[2-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]quinoline-2-carboxamide (CID 70853145) is 8-[3-(difluoromethoxy)phenyl]-N-[2-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]quinoline-2-carboxamide.
What is the SMILES notation for 8-[3-(difluoromethoxy)phenyl]-N-[2-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]quinoline-2-carboxamide?
The canonical SMILES for 8-[3-(difluoromethoxy)phenyl]-N-[2-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]quinoline-2-carboxamide is O=C(Nc1ccnc(CN2CCCC2)n1)c1ccc2cccc(-c3cccc(OC(F)F)c3)c2n1.
What is the InChIKey of 8-[3-(difluoromethoxy)phenyl]-N-[2-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]quinoline-2-carboxamide?
The InChIKey is RXIIUPRRWPKCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N5O2/c27-26(28)35-19-7-3-6-18(15-19)20-8-4-5-17-9-10-21(30-24(17)20)25(34)32-22-11-12-29-23(31-22)16-33-13-1-2-14-33/h3-12,15,26H,1-2,13-14,16H2,(H,29,31,32,34).
What are the key properties of 8-[3-(difluoromethoxy)phenyl]-N-[2-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]quinoline-2-carboxamide?
8-[3-(difluoromethoxy)phenyl]-N-[2-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]quinoline-2-carboxamide has a molecular weight of 475.50 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(difluoromethoxy)phenyl]-N-[2-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]quinoline-2-carboxamide is sourced from PubChem (CID 70853145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).