6-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide

C27H26N4O2 — CID 18436125

IUPAC6-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)Nc3ccc4cc(CN5CCCC5)cnc4c3)cn2)cc1
InChIInChI=1S/C27H26N4O2/c1-33-24-9-5-20(6-10-24)25-11-7-22(17-29-25)27(32)30-23-8-4-21-14-19(16-28-26(21)15-23)18-31-12-2-3-13-31/h4-11,14-17H,2-3,12-13,18H2,1H3,(H,30,32)
InChIKeyLJHAUTDPLVTWDD-UHFFFAOYSA-N
MW438.53 g/mol
LogP5.15
Rot. Bonds6

About 6-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide

6-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide (PubChem CID 18436125) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide
PubChem CID18436125
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC Name6-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)Nc3ccc4cc(CN5CCCC5)cnc4c3)cn2)cc1
InChIInChI=1S/C27H26N4O2/c1-33-24-9-5-20(6-10-24)25-11-7-22(17-29-25)27(32)30-23-8-4-21-14-19(16-28-26(21)15-23)18-31-12-2-3-13-31/h4-11,14-17H,2-3,12-13,18H2,1H3,(H,30,32)
InChIKeyLJHAUTDPLVTWDD-UHFFFAOYSA-N
XLogP5.15
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

PZ-II-029
CID 10426200
4-(2,4-Difluoroanilino)-7-ethoxy-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
CID 16755780
HPGDS inhibitor 2
CID 129247606
2,5-Dihydro-2-(4-methoxyphenyl)-3H-pyrazolo(4,3-c)quinolin-3-one
CID 100812
2-(4-methoxyphenyl)-8-methyl-5H-pyrazolo[4,3-c]quinolin-3-one
CID 5273071
N-[2-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]phenyl]quinoline-3-carboxamide
CID 15511440
Pyrrolopyridine, 29
CID 16720207
7-Methoxy-2-phenyl-2,5-dihydro-pyrazolo[4,3-c]quinolin-3-one
CID 10424361
4-(4-methoxyphenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide
CID 18436114
4-methoxy-N-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]benzamide
CID 49850566
N-[2-[(2S)-2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 164614014
4-methoxy-N-quinolin-6-ylbenzamide
CID 1506499

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide?
The IUPAC name of 6-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide (CID 18436125) is 6-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide is COc1ccc(-c2ccc(C(=O)Nc3ccc4cc(CN5CCCC5)cnc4c3)cn2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide?
The InChIKey is LJHAUTDPLVTWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2/c1-33-24-9-5-20(6-10-24)25-11-7-22(17-29-25)27(32)30-23-8-4-21-14-19(16-28-26(21)15-23)18-31-12-2-3-13-31/h4-11,14-17H,2-3,12-13,18H2,1H3,(H,30,32).
What are the key properties of 6-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide?
6-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide is sourced from PubChem (CID 18436125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).