7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide

C18H17N3O2 — CID 17397255

IUPAC7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NCc3ccncc3)c(C)nc2c1
InChIInChI=1S/C18H17N3O2/c1-12-16(18(22)20-11-13-5-7-19-8-6-13)9-14-3-4-15(23-2)10-17(14)21-12/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyQDEDCFPHZUUYNJ-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.88
Rot. Bonds4

About 7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide

7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide (PubChem CID 17397255) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide
PubChem CID17397255
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NCc3ccncc3)c(C)nc2c1
InChIInChI=1S/C18H17N3O2/c1-12-16(18(22)20-11-13-5-7-19-8-6-13)9-14-3-4-15(23-2)10-17(14)21-12/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyQDEDCFPHZUUYNJ-UHFFFAOYSA-N
XLogP2.88
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-2-methyl-N-(2-methylpropyl)quinoline-3-carboxamide
CID 17425471
N-(2-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 78856115
N-(3-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 78854787
N-[(2-butoxy-3-pyridinyl)methyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 60589587
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 24550324
3-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]-2-methylpropanoic acid
CID 120525822
2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 110763497
N-ethoxy-7-methoxy-2-methylquinoline-3-carboxamide
CID 18169112
N-[[2-(diethylaminomethyl)phenyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 17492677
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 55858015
N-[(2R)-2-(ethylamino)propyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 120653655
7-methoxy-2-methyl-N-pentan-3-ylquinoline-3-carboxamide
CID 78829924

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide?
The IUPAC name of 7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide (CID 17397255) is 7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide.
What is the SMILES notation for 7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide?
The canonical SMILES for 7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide is COc1ccc2cc(C(=O)NCc3ccncc3)c(C)nc2c1.
What is the InChIKey of 7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide?
The InChIKey is QDEDCFPHZUUYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12-16(18(22)20-11-13-5-7-19-8-6-13)9-14-3-4-15(23-2)10-17(14)21-12/h3-10H,11H2,1-2H3,(H,20,22).
What are the key properties of 7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide?
7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide is sourced from PubChem (CID 17397255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).