[4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl]-(2-phenylquinolin-4-yl)methanone

C32H29N3O — CID 45114302

IUPAC[4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl]-(2-phenylquinolin-4-yl)methanone
SMILESCc1ccc2cc(CC3CCN(C(=O)c4cc(-c5ccccc5)nc5ccccc45)CC3)ccc2n1
InChIInChI=1S/C32H29N3O/c1-22-11-13-26-20-24(12-14-29(26)33-22)19-23-15-17-35(18-16-23)32(36)28-21-31(25-7-3-2-4-8-25)34-30-10-6-5-9-27(28)30/h2-14,20-21,23H,15-19H2,1H3
InChIKeyOZINPIJMBCNUEN-UHFFFAOYSA-N
MW471.60 g/mol
LogP6.85
Rot. Bonds4

About [4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl]-(2-phenylquinolin-4-yl)methanone

[4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl]-(2-phenylquinolin-4-yl)methanone (PubChem CID 45114302) has the molecular formula C32H29N3O and a molecular weight of 471.60 g/mol. Its IUPAC name is [4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl]-(2-phenylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl]-(2-phenylquinolin-4-yl)methanone
PubChem CID45114302
Molecular FormulaC32H29N3O
Molecular Weight471.60 g/mol
Exact Mass471.23
IUPAC Name[4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl]-(2-phenylquinolin-4-yl)methanone
SMILESCc1ccc2cc(CC3CCN(C(=O)c4cc(-c5ccccc5)nc5ccccc45)CC3)ccc2n1
InChIInChI=1S/C32H29N3O/c1-22-11-13-26-20-24(12-14-29(26)33-22)19-23-15-17-35(18-16-23)32(36)28-21-31(25-7-3-2-4-8-25)34-30-10-6-5-9-27(28)30/h2-14,20-21,23H,15-19H2,1H3
InChIKeyOZINPIJMBCNUEN-UHFFFAOYSA-N
XLogP6.85
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.60
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl]-(2-phenylquinolin-4-yl)methanone?
The IUPAC name of [4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl]-(2-phenylquinolin-4-yl)methanone (CID 45114302) is [4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl]-(2-phenylquinolin-4-yl)methanone.
What is the SMILES notation for [4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl]-(2-phenylquinolin-4-yl)methanone?
The canonical SMILES for [4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl]-(2-phenylquinolin-4-yl)methanone is Cc1ccc2cc(CC3CCN(C(=O)c4cc(-c5ccccc5)nc5ccccc45)CC3)ccc2n1.
What is the InChIKey of [4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl]-(2-phenylquinolin-4-yl)methanone?
The InChIKey is OZINPIJMBCNUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N3O/c1-22-11-13-26-20-24(12-14-29(26)33-22)19-23-15-17-35(18-16-23)32(36)28-21-31(25-7-3-2-4-8-25)34-30-10-6-5-9-27(28)30/h2-14,20-21,23H,15-19H2,1H3.
What are the key properties of [4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl]-(2-phenylquinolin-4-yl)methanone?
[4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl]-(2-phenylquinolin-4-yl)methanone has a molecular weight of 471.60 g/mol, XLogP of 6.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl]-(2-phenylquinolin-4-yl)methanone is sourced from PubChem (CID 45114302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).