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

C28H27N3O — CID 23022422

IUPACN-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]-4-phenylbenzamide
SMILESCc1c(NC(=O)c2ccc(-c3ccccc3)cc2)ccc2cc(CN3CCCC3)cnc12
InChIInChI=1S/C28H27N3O/c1-20-26(14-13-25-17-21(18-29-27(20)25)19-31-15-5-6-16-31)30-28(32)24-11-9-23(10-12-24)22-7-3-2-4-8-22/h2-4,7-14,17-18H,5-6,15-16,19H2,1H3,(H,30,32)
InChIKeyAGEXLZJKWUQKHA-UHFFFAOYSA-N
MW421.54 g/mol
LogP6.06
Rot. Bonds5

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

N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]-4-phenylbenzamide (PubChem CID 23022422) has the molecular formula C28H27N3O and a molecular weight of 421.54 g/mol. Its IUPAC name is N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]-4-phenylbenzamide
PubChem CID23022422
Molecular FormulaC28H27N3O
Molecular Weight421.54 g/mol
Exact Mass421.22
IUPAC NameN-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]-4-phenylbenzamide
SMILESCc1c(NC(=O)c2ccc(-c3ccccc3)cc2)ccc2cc(CN3CCCC3)cnc12
InChIInChI=1S/C28H27N3O/c1-20-26(14-13-25-17-21(18-29-27(20)25)19-31-15-5-6-16-31)30-28(32)24-11-9-23(10-12-24)22-7-3-2-4-8-22/h2-4,7-14,17-18H,5-6,15-16,19H2,1H3,(H,30,32)
InChIKeyAGEXLZJKWUQKHA-UHFFFAOYSA-N
XLogP6.06
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]-4-phenylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]-4-phenylbenzamide?
The IUPAC name of N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]-4-phenylbenzamide (CID 23022422) is N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]-4-phenylbenzamide.
What is the SMILES notation for N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]-4-phenylbenzamide?
The canonical SMILES for N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]-4-phenylbenzamide is Cc1c(NC(=O)c2ccc(-c3ccccc3)cc2)ccc2cc(CN3CCCC3)cnc12.
What is the InChIKey of N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]-4-phenylbenzamide?
The InChIKey is AGEXLZJKWUQKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O/c1-20-26(14-13-25-17-21(18-29-27(20)25)19-31-15-5-6-16-31)30-28(32)24-11-9-23(10-12-24)22-7-3-2-4-8-22/h2-4,7-14,17-18H,5-6,15-16,19H2,1H3,(H,30,32).
What are the key properties of N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]-4-phenylbenzamide?
N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]-4-phenylbenzamide has a molecular weight of 421.54 g/mol, XLogP of 6.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]-4-phenylbenzamide is sourced from PubChem (CID 23022422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).