4-[[[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]amino]methyl]benzonitrile

C28H26N4 — CID 25116798

IUPAC4-[[[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]amino]methyl]benzonitrile
SMILESCc1cc(N2CCC(c3ccccc3)C2)c2cc(NCc3ccc(C#N)cc3)ccc2n1
InChIInChI=1S/C28H26N4/c1-20-15-28(32-14-13-24(19-32)23-5-3-2-4-6-23)26-16-25(11-12-27(26)31-20)30-18-22-9-7-21(17-29)8-10-22/h2-12,15-16,24,30H,13-14,18-19H2,1H3
InChIKeyVIRNFJCOOYYCEL-UHFFFAOYSA-N
MW418.54 g/mol
LogP6.02
Rot. Bonds5

About 4-[[[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]amino]methyl]benzonitrile

4-[[[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]amino]methyl]benzonitrile (PubChem CID 25116798) has the molecular formula C28H26N4 and a molecular weight of 418.54 g/mol. Its IUPAC name is 4-[[[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]amino]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]amino]methyl]benzonitrile
PubChem CID25116798
Molecular FormulaC28H26N4
Molecular Weight418.54 g/mol
Exact Mass418.22
IUPAC Name4-[[[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]amino]methyl]benzonitrile
SMILESCc1cc(N2CCC(c3ccccc3)C2)c2cc(NCc3ccc(C#N)cc3)ccc2n1
InChIInChI=1S/C28H26N4/c1-20-15-28(32-14-13-24(19-32)23-5-3-2-4-6-23)26-16-25(11-12-27(26)31-20)30-18-22-9-7-21(17-29)8-10-22/h2-12,15-16,24,30H,13-14,18-19H2,1H3
InChIKeyVIRNFJCOOYYCEL-UHFFFAOYSA-N
XLogP6.02
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]amino]methyl]benzonitrile with MolForge

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-amine
CID 25116797
4-[[(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)amino]methyl]benzonitrile
CID 23433967
2-(3-methyl-1,2-oxazol-5-yl)-N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]acetamide
CID 25116573
N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]benzenesulfonamide;hydrochloride
CID 68776069
5-methyl-N-[2-methyl-4-[(3R)-3-phenylpyrrolidin-1-yl]quinolin-6-yl]-1H-pyrazole-3-carboxamide
CID 90900930
4-[[2-methyl-4-(3-pyridin-4-ylpyrrolidin-1-yl)quinolin-7-yl]oxymethyl]benzonitrile
CID 22641484
2-methyl-4-(3-phenylpyrrolidin-1-yl)quinoline-6-carboxamide
CID 174599482
2-methyl-4-[(3S)-3-phenylpyrrolidin-1-yl]quinoline-6-carboxamide
CID 174599465
pyrazin-2-yl N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]carbamate
CID 130220938
4-[1-(2-methyl-6-phenoxyquinolin-4-yl)pyrrolidin-3-yl]aniline
CID 175264996
5-methyl-1-[2-methyl-4-[(3S)-3-phenylpyrrolidin-1-yl]quinolin-6-yl]pyrazole-3-carboxamide
CID 172840492
5-[(4-cyanophenyl)methylamino]-2-(4-hydroxypiperidin-1-yl)benzonitrile
CID 111469495

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]amino]methyl]benzonitrile?
The IUPAC name of 4-[[[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]amino]methyl]benzonitrile (CID 25116798) is 4-[[[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]amino]methyl]benzonitrile.
What is the SMILES notation for 4-[[[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]amino]methyl]benzonitrile?
The canonical SMILES for 4-[[[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]amino]methyl]benzonitrile is Cc1cc(N2CCC(c3ccccc3)C2)c2cc(NCc3ccc(C#N)cc3)ccc2n1.
What is the InChIKey of 4-[[[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]amino]methyl]benzonitrile?
The InChIKey is VIRNFJCOOYYCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4/c1-20-15-28(32-14-13-24(19-32)23-5-3-2-4-6-23)26-16-25(11-12-27(26)31-20)30-18-22-9-7-21(17-29)8-10-22/h2-12,15-16,24,30H,13-14,18-19H2,1H3.
What are the key properties of 4-[[[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]amino]methyl]benzonitrile?
4-[[[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]amino]methyl]benzonitrile has a molecular weight of 418.54 g/mol, XLogP of 6.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]amino]methyl]benzonitrile is sourced from PubChem (CID 25116798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).