4-cyano-N-[4-(3-methoxypyrrolidin-1-yl)-2-methylquinolin-7-yl]benzamide

C23H22N4O2 — CID 23433948

IUPAC4-cyano-N-[4-(3-methoxypyrrolidin-1-yl)-2-methylquinolin-7-yl]benzamide
SMILESCOC1CCN(c2cc(C)nc3cc(NC(=O)c4ccc(C#N)cc4)ccc23)C1
InChIInChI=1S/C23H22N4O2/c1-15-11-22(27-10-9-19(14-27)29-2)20-8-7-18(12-21(20)25-15)26-23(28)17-5-3-16(13-24)4-6-17/h3-8,11-12,19H,9-10,14H2,1-2H3,(H,26,28)
InChIKeyPLUVJUDXAWKVKL-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.89
Rot. Bonds4

About 4-cyano-N-[4-(3-methoxypyrrolidin-1-yl)-2-methylquinolin-7-yl]benzamide

4-cyano-N-[4-(3-methoxypyrrolidin-1-yl)-2-methylquinolin-7-yl]benzamide (PubChem CID 23433948) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 4-cyano-N-[4-(3-methoxypyrrolidin-1-yl)-2-methylquinolin-7-yl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[4-(3-methoxypyrrolidin-1-yl)-2-methylquinolin-7-yl]benzamide
PubChem CID23433948
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name4-cyano-N-[4-(3-methoxypyrrolidin-1-yl)-2-methylquinolin-7-yl]benzamide
SMILESCOC1CCN(c2cc(C)nc3cc(NC(=O)c4ccc(C#N)cc4)ccc23)C1
InChIInChI=1S/C23H22N4O2/c1-15-11-22(27-10-9-19(14-27)29-2)20-8-7-18(12-21(20)25-15)26-23(28)17-5-3-16(13-24)4-6-17/h3-8,11-12,19H,9-10,14H2,1-2H3,(H,26,28)
InChIKeyPLUVJUDXAWKVKL-UHFFFAOYSA-N
XLogP3.89
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyanobenzamide;4-cyano-N-[4-[(3S)-3-ethoxypyrrolidin-1-yl]-2-methylquinolin-7-yl]benzamide;hydrochloride
CID 159102997
4-cyano-N-[4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]benzamide
CID 23433970
4-[[4-[(3S)-3-methoxypyrrolidin-1-yl]-2-methylquinolin-7-yl]oxymethyl]benzonitrile
CID 10177357
4-[[4-(3-methoxypyrrolidin-1-yl)-2-methylquinolin-7-yl]oxymethyl]benzonitrile;hydrochloride
CID 22641344
4-[[4-(3-methoxypyrrolidin-1-yl)-2,6-dimethylquinolin-7-yl]methoxy]benzonitrile
CID 22054501
4-[[4-[3-(3-methoxypropoxy)pyrrolidin-1-yl]-2-methylquinolin-7-yl]oxymethyl]benzonitrile;hydrochloride
CID 22641379
4-[[4-[(3S)-3-(2-hydroxyethoxy)pyrrolidin-1-yl]-2-methylquinolin-7-yl]oxymethyl]benzonitrile
CID 69288068
N-(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)pyridine-3-carboxamide
CID 10149873
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 90595480
4-[[(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)amino]methyl]benzonitrile
CID 23433967
4-(3-methoxypyrrolidin-1-yl)-2-methyl-7-phenylmethoxyquinoline
CID 22641415
[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]carbamic acid
CID 69283414

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[4-(3-methoxypyrrolidin-1-yl)-2-methylquinolin-7-yl]benzamide?
The IUPAC name of 4-cyano-N-[4-(3-methoxypyrrolidin-1-yl)-2-methylquinolin-7-yl]benzamide (CID 23433948) is 4-cyano-N-[4-(3-methoxypyrrolidin-1-yl)-2-methylquinolin-7-yl]benzamide.
What is the SMILES notation for 4-cyano-N-[4-(3-methoxypyrrolidin-1-yl)-2-methylquinolin-7-yl]benzamide?
The canonical SMILES for 4-cyano-N-[4-(3-methoxypyrrolidin-1-yl)-2-methylquinolin-7-yl]benzamide is COC1CCN(c2cc(C)nc3cc(NC(=O)c4ccc(C#N)cc4)ccc23)C1.
What is the InChIKey of 4-cyano-N-[4-(3-methoxypyrrolidin-1-yl)-2-methylquinolin-7-yl]benzamide?
The InChIKey is PLUVJUDXAWKVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-15-11-22(27-10-9-19(14-27)29-2)20-8-7-18(12-21(20)25-15)26-23(28)17-5-3-16(13-24)4-6-17/h3-8,11-12,19H,9-10,14H2,1-2H3,(H,26,28).
What are the key properties of 4-cyano-N-[4-(3-methoxypyrrolidin-1-yl)-2-methylquinolin-7-yl]benzamide?
4-cyano-N-[4-(3-methoxypyrrolidin-1-yl)-2-methylquinolin-7-yl]benzamide has a molecular weight of 386.46 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[4-(3-methoxypyrrolidin-1-yl)-2-methylquinolin-7-yl]benzamide is sourced from PubChem (CID 23433948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).