N-[3-chloro-2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]benzamide;hydrochloride

C27H25Cl2N3O — CID 142764266

IUPACN-[3-chloro-2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]benzamide;hydrochloride
SMILESCc1nc2ccc(NC(=O)c3ccccc3)cc2c(N2CCC(c3ccccc3)C2)c1Cl.Cl
InChIInChI=1S/C27H24ClN3O.ClH/c1-18-25(28)26(31-15-14-21(17-31)19-8-4-2-5-9-19)23-16-22(12-13-24(23)29-18)30-27(32)20-10-6-3-7-11-20;/h2-13,16,21H,14-15,17H2,1H3,(H,30,32);1H
InChIKeyBKSODUSOUMKZBI-UHFFFAOYSA-N
MW478.42 g/mol
LogP6.86
Rot. Bonds4

About N-[3-chloro-2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]benzamide;hydrochloride

N-[3-chloro-2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]benzamide;hydrochloride (PubChem CID 142764266) has the molecular formula C27H25Cl2N3O and a molecular weight of 478.42 g/mol. Its IUPAC name is N-[3-chloro-2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[3-chloro-2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]benzamide;hydrochloride
PubChem CID142764266
Molecular FormulaC27H25Cl2N3O
Molecular Weight478.42 g/mol
Exact Mass477.14
IUPAC NameN-[3-chloro-2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]benzamide;hydrochloride
SMILESCc1nc2ccc(NC(=O)c3ccccc3)cc2c(N2CCC(c3ccccc3)C2)c1Cl.Cl
InChIInChI=1S/C27H24ClN3O.ClH/c1-18-25(28)26(31-15-14-21(17-31)19-8-4-2-5-9-19)23-16-22(12-13-24(23)29-18)30-27(32)20-10-6-3-7-11-20;/h2-13,16,21H,14-15,17H2,1H3,(H,30,32);1H
InChIKeyBKSODUSOUMKZBI-UHFFFAOYSA-N
XLogP6.86
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.42
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-[2-methyl-4-[(3R)-3-phenylpyrrolidin-1-yl]quinolin-6-yl]-1H-pyrazole-3-carboxamide
CID 90900930
5-[(3-chlorobenzoyl)amino]-2-[(3S)-3-phenylpyrrolidin-1-yl]benzoic acid
CID 93070135
5-[(4-bromobenzoyl)amino]-2-[(3R)-3-phenylpyrrolidin-1-yl]benzoic acid
CID 93070134
pyrazin-2-yl N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]carbamate
CID 130220938
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
2-methyl-4-[(3S)-3-phenylpyrrolidin-1-yl]quinoline-6-carboxamide
CID 174599465
2-methyl-4-(3-phenylpyrrolidin-1-yl)quinoline-6-carboxamide
CID 174599482
N-(3-benzyl-2-cyclopropyl-4-oxoquinazolin-6-yl)pyridine-4-carboxamide
CID 1456521
4-(4-phenylpiperidin-1-yl)-N-quinolin-3-ylbenzamide
CID 66815466
O-[4-[(2,3-diphenylquinoxalin-6-yl)carbamoyl]phenyl] (3S)-3-phenylpyrrolidine-1-carbothioate
CID 126338463
N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide
CID 46364144

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]benzamide;hydrochloride?
The IUPAC name of N-[3-chloro-2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]benzamide;hydrochloride (CID 142764266) is N-[3-chloro-2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]benzamide;hydrochloride.
What is the SMILES notation for N-[3-chloro-2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]benzamide;hydrochloride?
The canonical SMILES for N-[3-chloro-2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]benzamide;hydrochloride is Cc1nc2ccc(NC(=O)c3ccccc3)cc2c(N2CCC(c3ccccc3)C2)c1Cl.Cl.
What is the InChIKey of N-[3-chloro-2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]benzamide;hydrochloride?
The InChIKey is BKSODUSOUMKZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN3O.ClH/c1-18-25(28)26(31-15-14-21(17-31)19-8-4-2-5-9-19)23-16-22(12-13-24(23)29-18)30-27(32)20-10-6-3-7-11-20;/h2-13,16,21H,14-15,17H2,1H3,(H,30,32);1H.
What are the key properties of N-[3-chloro-2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]benzamide;hydrochloride?
N-[3-chloro-2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]benzamide;hydrochloride has a molecular weight of 478.42 g/mol, XLogP of 6.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]benzamide;hydrochloride is sourced from PubChem (CID 142764266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).