4-cyano-N-[4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]benzamide

C24H24N4O2 — CID 23433970

IUPAC4-cyano-N-[4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]benzamide
SMILESCOCC1CCCN1c1cc(C)nc2cc(NC(=O)c3ccc(C#N)cc3)ccc12
InChIInChI=1S/C24H24N4O2/c1-16-12-23(28-11-3-4-20(28)15-30-2)21-10-9-19(13-22(21)26-16)27-24(29)18-7-5-17(14-25)6-8-18/h5-10,12-13,20H,3-4,11,15H2,1-2H3,(H,27,29)
InChIKeyYMFWQROZEUQGSM-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.28
Rot. Bonds5

About 4-cyano-N-[4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]benzamide

4-cyano-N-[4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]benzamide (PubChem CID 23433970) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 4-cyano-N-[4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]benzamide
PubChem CID23433970
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name4-cyano-N-[4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]benzamide
SMILESCOCC1CCCN1c1cc(C)nc2cc(NC(=O)c3ccc(C#N)cc3)ccc12
InChIInChI=1S/C24H24N4O2/c1-16-12-23(28-11-3-4-20(28)15-30-2)21-10-9-19(13-22(21)26-16)27-24(29)18-7-5-17(14-25)6-8-18/h5-10,12-13,20H,3-4,11,15H2,1-2H3,(H,27,29)
InChIKeyYMFWQROZEUQGSM-UHFFFAOYSA-N
XLogP4.28
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]carbamic acid
CID 69283414
N-[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]cyclopropanecarboxamide
CID 91456633
4-cyano-N-[4-(3-methoxypyrrolidin-1-yl)-2-methylquinolin-7-yl]benzamide
CID 23433948
4-cyanobenzamide;4-cyano-N-[4-[(3S)-3-ethoxypyrrolidin-1-yl]-2-methylquinolin-7-yl]benzamide;hydrochloride
CID 159102997
4-(2-methoxypyrrolidin-1-yl)-2-methylquinoline-7-carboxamide
CID 174465207
N-(5-cyano-2-pyridinyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]benzamide
CID 50970346
7-[(2-chloro-3-pyridinyl)methoxy]-4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinoline
CID 22641299
4-[[(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)amino]methyl]benzonitrile
CID 23433967
[(2S)-1-(7-amino-2-methylquinolin-4-yl)pyrrolidin-2-yl]methanol
CID 69305279
N-(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)pyridine-3-carboxamide
CID 10149873
N-(9-amino-7-ethoxyacridin-3-yl)-4-cyanobenzamide
CID 132503348
1-N-(4-cyanophenyl)-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050095

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]benzamide?
The IUPAC name of 4-cyano-N-[4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]benzamide (CID 23433970) is 4-cyano-N-[4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]benzamide.
What is the SMILES notation for 4-cyano-N-[4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]benzamide?
The canonical SMILES for 4-cyano-N-[4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]benzamide is COCC1CCCN1c1cc(C)nc2cc(NC(=O)c3ccc(C#N)cc3)ccc12.
What is the InChIKey of 4-cyano-N-[4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]benzamide?
The InChIKey is YMFWQROZEUQGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-16-12-23(28-11-3-4-20(28)15-30-2)21-10-9-19(13-22(21)26-16)27-24(29)18-7-5-17(14-25)6-8-18/h5-10,12-13,20H,3-4,11,15H2,1-2H3,(H,27,29).
What are the key properties of 4-cyano-N-[4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]benzamide?
4-cyano-N-[4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]benzamide has a molecular weight of 400.48 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]benzamide is sourced from PubChem (CID 23433970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).