1-[[4-(2-carbamoylphenyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide

C30H28N4O2 — CID 123558002

IUPAC1-[[4-(2-carbamoylphenyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESNC(=O)c1ccccc1-c1ccc(CN2CCCc3cc(C(=O)NCc4ccncc4)ccc32)cc1
InChIInChI=1S/C30H28N4O2/c31-29(35)27-6-2-1-5-26(27)23-9-7-22(8-10-23)20-34-17-3-4-24-18-25(11-12-28(24)34)30(36)33-19-21-13-15-32-16-14-21/h1-2,5-16,18H,3-4,17,19-20H2,(H2,31,35)(H,33,36)
InChIKeyJQUWQYBLNWWJCI-UHFFFAOYSA-N
MW476.58 g/mol
LogP4.73
Rot. Bonds7

About 1-[[4-(2-carbamoylphenyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide

1-[[4-(2-carbamoylphenyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 123558002) has the molecular formula C30H28N4O2 and a molecular weight of 476.58 g/mol. Its IUPAC name is 1-[[4-(2-carbamoylphenyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound Name1-[[4-(2-carbamoylphenyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID123558002
Molecular FormulaC30H28N4O2
Molecular Weight476.58 g/mol
Exact Mass476.22
IUPAC Name1-[[4-(2-carbamoylphenyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESNC(=O)c1ccccc1-c1ccc(CN2CCCc3cc(C(=O)NCc4ccncc4)ccc32)cc1
InChIInChI=1S/C30H28N4O2/c31-29(35)27-6-2-1-5-26(27)23-9-7-22(8-10-23)20-34-17-3-4-24-18-25(11-12-28(24)34)30(36)33-19-21-13-15-32-16-14-21/h1-2,5-16,18H,3-4,17,19-20H2,(H2,31,35)(H,33,36)
InChIKeyJQUWQYBLNWWJCI-UHFFFAOYSA-N
XLogP4.73
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[4-(2-carbamoylphenyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide with MolForge

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Related Compounds

tert-butyl 2-[3-[[6-(benzylcarbamoyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]benzoate
CID 123667195
4-[[4-(2-carbamoylphenyl)phenyl]methyl]-N-[(3,4-dihydroxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-7-carboxamide
CID 126499205
2-[3-fluoro-4-[[6-[(3-fluoro-4-methylphenyl)methylcarbamoyl]-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]benzoic acid
CID 126499667
2-[4-[[7-(benzylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]phenyl]benzoic acid
CID 123956528
N-[1-(3-fluorophenyl)ethyl]-1-[[4-[2-(methylcarbamoyl)phenyl]phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 123920403
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 99950072
1-[(3-carbamoylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 75455915
2-[4-[[6-[(4-bromophenyl)methylcarbamoyl]-3,4-dihydro-2H-quinolin-1-yl]methyl]cyclohexa-2,4-dien-1-yl]benzoic acid
CID 126499518
N-[(3-fluoro-4-methylphenyl)methyl]-1-[[2-fluoro-3-(2-methylphenyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 126499328
N-hydroxy-4-[(8-pyridin-4-yl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide
CID 156889599
1-[1-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 102662618
N-benzyl-4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]benzamide;bis(2,2,2-trifluoroacetic acid)
CID 46943272

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-carbamoylphenyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of 1-[[4-(2-carbamoylphenyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide (CID 123558002) is 1-[[4-(2-carbamoylphenyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for 1-[[4-(2-carbamoylphenyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for 1-[[4-(2-carbamoylphenyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide is NC(=O)c1ccccc1-c1ccc(CN2CCCc3cc(C(=O)NCc4ccncc4)ccc32)cc1.
What is the InChIKey of 1-[[4-(2-carbamoylphenyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is JQUWQYBLNWWJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O2/c31-29(35)27-6-2-1-5-26(27)23-9-7-22(8-10-23)20-34-17-3-4-24-18-25(11-12-28(24)34)30(36)33-19-21-13-15-32-16-14-21/h1-2,5-16,18H,3-4,17,19-20H2,(H2,31,35)(H,33,36).
What are the key properties of 1-[[4-(2-carbamoylphenyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide?
1-[[4-(2-carbamoylphenyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 476.58 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-carbamoylphenyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 123558002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).