4-(8-methoxy-4-methylquinolin-2-yl)-N-[(3R)-pyrrolidin-3-yl]benzamide

C22H23N3O2 — CID 126436304

IUPAC4-(8-methoxy-4-methylquinolin-2-yl)-N-[(3R)-pyrrolidin-3-yl]benzamide
SMILESCOc1cccc2c(C)cc(-c3ccc(C(=O)N[C@@H]4CCNC4)cc3)nc12
InChIInChI=1S/C22H23N3O2/c1-14-12-19(25-21-18(14)4-3-5-20(21)27-2)15-6-8-16(9-7-15)22(26)24-17-10-11-23-13-17/h3-9,12,17,23H,10-11,13H2,1-2H3,(H,24,26)/t17-/m1/s1
InChIKeyHCHBEAMAFHQGES-QGZVFWFLSA-N
MW361.45 g/mol
LogP3.31
Rot. Bonds4

About 4-(8-methoxy-4-methylquinolin-2-yl)-N-[(3R)-pyrrolidin-3-yl]benzamide

4-(8-methoxy-4-methylquinolin-2-yl)-N-[(3R)-pyrrolidin-3-yl]benzamide (PubChem CID 126436304) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 4-(8-methoxy-4-methylquinolin-2-yl)-N-[(3R)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-(8-methoxy-4-methylquinolin-2-yl)-N-[(3R)-pyrrolidin-3-yl]benzamide
PubChem CID126436304
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name4-(8-methoxy-4-methylquinolin-2-yl)-N-[(3R)-pyrrolidin-3-yl]benzamide
SMILESCOc1cccc2c(C)cc(-c3ccc(C(=O)N[C@@H]4CCNC4)cc3)nc12
InChIInChI=1S/C22H23N3O2/c1-14-12-19(25-21-18(14)4-3-5-20(21)27-2)15-6-8-16(9-7-15)22(26)24-17-10-11-23-13-17/h3-9,12,17,23H,10-11,13H2,1-2H3,(H,24,26)/t17-/m1/s1
InChIKeyHCHBEAMAFHQGES-QGZVFWFLSA-N
XLogP3.31
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-methyl-1-oxo-2H-isoquinolin-3-yl)-N-pyrrolidin-3-ylbenzamide
CID 122626915
3-iodo-4-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119454037
N-[(1S,3R)-3-aminocyclopentyl]-4-(8-methoxyquinolin-2-yl)benzamide;hydrochloride
CID 154904178
4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-N-pyrrolidin-3-ylbenzamide
CID 68915590
4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-pyrrolidin-3-ylbenzamide
CID 119452649
3-bromo-4-methyl-N-pyrrolidin-3-ylbenzamide
CID 81472649
2-(3,4-dimethoxyphenyl)-4-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
CID 119452667
3-methoxy-5-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 119453724
3,5-dimethoxy-4-methyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119429058
5-(4-methylphenyl)-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride
CID 119452546
4-acetyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119449499
3-bromo-4-ethoxy-5-methoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119449468

Frequently Asked Questions

What is the IUPAC name of 4-(8-methoxy-4-methylquinolin-2-yl)-N-[(3R)-pyrrolidin-3-yl]benzamide?
The IUPAC name of 4-(8-methoxy-4-methylquinolin-2-yl)-N-[(3R)-pyrrolidin-3-yl]benzamide (CID 126436304) is 4-(8-methoxy-4-methylquinolin-2-yl)-N-[(3R)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-(8-methoxy-4-methylquinolin-2-yl)-N-[(3R)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-(8-methoxy-4-methylquinolin-2-yl)-N-[(3R)-pyrrolidin-3-yl]benzamide is COc1cccc2c(C)cc(-c3ccc(C(=O)N[C@@H]4CCNC4)cc3)nc12.
What is the InChIKey of 4-(8-methoxy-4-methylquinolin-2-yl)-N-[(3R)-pyrrolidin-3-yl]benzamide?
The InChIKey is HCHBEAMAFHQGES-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-14-12-19(25-21-18(14)4-3-5-20(21)27-2)15-6-8-16(9-7-15)22(26)24-17-10-11-23-13-17/h3-9,12,17,23H,10-11,13H2,1-2H3,(H,24,26)/t17-/m1/s1.
What are the key properties of 4-(8-methoxy-4-methylquinolin-2-yl)-N-[(3R)-pyrrolidin-3-yl]benzamide?
4-(8-methoxy-4-methylquinolin-2-yl)-N-[(3R)-pyrrolidin-3-yl]benzamide has a molecular weight of 361.45 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-methoxy-4-methylquinolin-2-yl)-N-[(3R)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 126436304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).