4-(2-chlorophenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide

C28H26ClN3O — CID 18435919

IUPAC4-(2-chlorophenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide
SMILESCc1c(NC(=O)c2ccc(-c3ccccc3Cl)cc2)ccc2cc(CN3CCCC3)cnc12
InChIInChI=1S/C28H26ClN3O/c1-19-26(13-12-23-16-20(17-30-27(19)23)18-32-14-4-5-15-32)31-28(33)22-10-8-21(9-11-22)24-6-2-3-7-25(24)29/h2-3,6-13,16-17H,4-5,14-15,18H2,1H3,(H,31,33)
InChIKeyOKSHMKRSFHXLLE-UHFFFAOYSA-N
MW455.99 g/mol
LogP6.71
Rot. Bonds5

About 4-(2-chlorophenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide

4-(2-chlorophenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide (PubChem CID 18435919) has the molecular formula C28H26ClN3O and a molecular weight of 455.99 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide
PubChem CID18435919
Molecular FormulaC28H26ClN3O
Molecular Weight455.99 g/mol
Exact Mass455.18
IUPAC Name4-(2-chlorophenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide
SMILESCc1c(NC(=O)c2ccc(-c3ccccc3Cl)cc2)ccc2cc(CN3CCCC3)cnc12
InChIInChI=1S/C28H26ClN3O/c1-19-26(13-12-23-16-20(17-30-27(19)23)18-32-14-4-5-15-32)31-28(33)22-10-8-21(9-11-22)24-6-2-3-7-25(24)29/h2-3,6-13,16-17H,4-5,14-15,18H2,1H3,(H,31,33)
InChIKeyOKSHMKRSFHXLLE-UHFFFAOYSA-N
XLogP6.71
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.99
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chlorophenyl)-N-[6-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide;hydrochloride
CID 18435917
4-(cyclopropylmethoxy)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide
CID 18435902
4-bromo-3-fluoro-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide
CID 18436011
4-(4-fluorophenyl)-N-[8-methoxy-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide
CID 18436095
N-[3-[[4-(2-amino-2-oxoethyl)piperidin-1-yl]methyl]-8-methylquinolin-7-yl]-4-(4-fluorophenyl)benzamide
CID 18436146
N-(2-aminophenyl)-4-[3-chloro-5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide
CID 11495172
N-[6-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]-4-thiophen-3-ylbenzamide
CID 18436196
4-(2-chlorophenyl)-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]benzamide
CID 141171867
2-methyl-3-[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide
CID 53281785
4-(azepan-1-ylmethyl)-N-(2-methyl-3-nitrophenyl)benzamide
CID 43924817
6-(4-benzylpiperazin-1-yl)-N-[2-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]pyridine-3-carboxamide
CID 53354399
[2-[[4-(azetidin-1-ylmethyl)benzoyl]amino]phenyl]carbamic acid
CID 135156525

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide?
The IUPAC name of 4-(2-chlorophenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide (CID 18435919) is 4-(2-chlorophenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide is Cc1c(NC(=O)c2ccc(-c3ccccc3Cl)cc2)ccc2cc(CN3CCCC3)cnc12.
What is the InChIKey of 4-(2-chlorophenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide?
The InChIKey is OKSHMKRSFHXLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN3O/c1-19-26(13-12-23-16-20(17-30-27(19)23)18-32-14-4-5-15-32)31-28(33)22-10-8-21(9-11-22)24-6-2-3-7-25(24)29/h2-3,6-13,16-17H,4-5,14-15,18H2,1H3,(H,31,33).
What are the key properties of 4-(2-chlorophenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide?
4-(2-chlorophenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide has a molecular weight of 455.99 g/mol, XLogP of 6.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide is sourced from PubChem (CID 18435919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).