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

C29H29N3O — CID 18436117

IUPAC4-(4-methylphenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide
SMILESCc1ccc(-c2ccc(C(=O)Nc3ccc4cc(CN5CCCC5)cnc4c3C)cc2)cc1
InChIInChI=1S/C29H29N3O/c1-20-5-7-23(8-6-20)24-9-11-25(12-10-24)29(33)31-27-14-13-26-17-22(18-30-28(26)21(27)2)19-32-15-3-4-16-32/h5-14,17-18H,3-4,15-16,19H2,1-2H3,(H,31,33)
InChIKeyNLAHHDDTQFVMAG-UHFFFAOYSA-N
MW435.57 g/mol
LogP6.37
Rot. Bonds5

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

4-(4-methylphenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide (PubChem CID 18436117) has the molecular formula C29H29N3O and a molecular weight of 435.57 g/mol. Its IUPAC name is 4-(4-methylphenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide.

Molecular Properties

Compound Name4-(4-methylphenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide
PubChem CID18436117
Molecular FormulaC29H29N3O
Molecular Weight435.57 g/mol
Exact Mass435.23
IUPAC Name4-(4-methylphenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide
SMILESCc1ccc(-c2ccc(C(=O)Nc3ccc4cc(CN5CCCC5)cnc4c3C)cc2)cc1
InChIInChI=1S/C29H29N3O/c1-20-5-7-23(8-6-20)24-9-11-25(12-10-24)29(33)31-27-14-13-26-17-22(18-30-28(26)21(27)2)19-32-15-3-4-16-32/h5-14,17-18H,3-4,15-16,19H2,1-2H3,(H,31,33)
InChIKeyNLAHHDDTQFVMAG-UHFFFAOYSA-N
XLogP6.37
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.57
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide?
The IUPAC name of 4-(4-methylphenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide (CID 18436117) is 4-(4-methylphenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide.
What is the SMILES notation for 4-(4-methylphenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide?
The canonical SMILES for 4-(4-methylphenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide is Cc1ccc(-c2ccc(C(=O)Nc3ccc4cc(CN5CCCC5)cnc4c3C)cc2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide?
The InChIKey is NLAHHDDTQFVMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O/c1-20-5-7-23(8-6-20)24-9-11-25(12-10-24)29(33)31-27-14-13-26-17-22(18-30-28(26)21(27)2)19-32-15-3-4-16-32/h5-14,17-18H,3-4,15-16,19H2,1-2H3,(H,31,33).
What are the key properties of 4-(4-methylphenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide?
4-(4-methylphenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide has a molecular weight of 435.57 g/mol, XLogP of 6.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide is sourced from PubChem (CID 18436117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).