N-[1-(4-methoxyphenyl)ethyl]-7,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide

C26H25N3O2 — CID 2965475

IUPACN-[1-(4-methoxyphenyl)ethyl]-7,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cc(-c3cccnc3)nc3c(C)c(C)ccc23)cc1
InChIInChI=1S/C26H25N3O2/c1-16-7-12-22-23(26(30)28-18(3)19-8-10-21(31-4)11-9-19)14-24(29-25(22)17(16)2)20-6-5-13-27-15-20/h5-15,18H,1-4H3,(H,28,30)
InChIKeyNZUDTQQYASVKQR-UHFFFAOYSA-N
MW411.51 g/mol
LogP5.41
Rot. Bonds5

About N-[1-(4-methoxyphenyl)ethyl]-7,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide

N-[1-(4-methoxyphenyl)ethyl]-7,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 2965475) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]-7,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]-7,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID2965475
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]-7,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cc(-c3cccnc3)nc3c(C)c(C)ccc23)cc1
InChIInChI=1S/C26H25N3O2/c1-16-7-12-22-23(26(30)28-18(3)19-8-10-21(31-4)11-9-19)14-24(29-25(22)17(16)2)20-6-5-13-27-15-20/h5-15,18H,1-4H3,(H,28,30)
InChIKeyNZUDTQQYASVKQR-UHFFFAOYSA-N
XLogP5.41
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.51
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)-6,8-dimethyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 19647752
7-chloro-8-methyl-2-pyridin-4-yl-N-[(1S)-1-pyridin-4-ylethyl]quinoline-4-carboxamide
CID 1261502
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-pyridin-3-yl-1,6-naphthyridine-2-carboxamide
CID 92582474
N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 46097161
6-bromo-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 1257075
2-(2-aminopyrimidin-5-yl)-7,8-dimethyl-N-(1-pyrimidin-4-ylethyl)quinoline-4-carboxamide
CID 46986988
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]quinoline-4-carboxamide
CID 40875191
2,5-dimethyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
CID 46454003
2,3-dihydroxy-4-methyl-N-[1-(4-pyridin-3-yloxyphenyl)ethyl]benzamide
CID 167936805
N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 55819706
2-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 84580740
5-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 95053221

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-7,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-7,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide (CID 2965475) is N-[1-(4-methoxyphenyl)ethyl]-7,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]-7,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]-7,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide is COc1ccc(C(C)NC(=O)c2cc(-c3cccnc3)nc3c(C)c(C)ccc23)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]-7,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is NZUDTQQYASVKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-16-7-12-22-23(26(30)28-18(3)19-8-10-21(31-4)11-9-19)14-24(29-25(22)17(16)2)20-6-5-13-27-15-20/h5-15,18H,1-4H3,(H,28,30).
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]-7,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide?
N-[1-(4-methoxyphenyl)ethyl]-7,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethyl]-7,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 2965475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).