2-(2-methyl-4-phenylquinolin-3-yl)-N-propan-2-ylacetamide

C21H22N2O — CID 112759088

IUPAC2-(2-methyl-4-phenylquinolin-3-yl)-N-propan-2-ylacetamide
SMILESCc1nc2ccccc2c(-c2ccccc2)c1CC(=O)NC(C)C
InChIInChI=1S/C21H22N2O/c1-14(2)22-20(24)13-18-15(3)23-19-12-8-7-11-17(19)21(18)16-9-5-4-6-10-16/h4-12,14H,13H2,1-3H3,(H,22,24)
InChIKeyBHEFXZFUTUJRQU-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.28
Rot. Bonds4

About 2-(2-methyl-4-phenylquinolin-3-yl)-N-propan-2-ylacetamide

2-(2-methyl-4-phenylquinolin-3-yl)-N-propan-2-ylacetamide (PubChem CID 112759088) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-(2-methyl-4-phenylquinolin-3-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-methyl-4-phenylquinolin-3-yl)-N-propan-2-ylacetamide
PubChem CID112759088
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name2-(2-methyl-4-phenylquinolin-3-yl)-N-propan-2-ylacetamide
SMILESCc1nc2ccccc2c(-c2ccccc2)c1CC(=O)NC(C)C
InChIInChI=1S/C21H22N2O/c1-14(2)22-20(24)13-18-15(3)23-19-12-8-7-11-17(19)21(18)16-9-5-4-6-10-16/h4-12,14H,13H2,1-3H3,(H,22,24)
InChIKeyBHEFXZFUTUJRQU-UHFFFAOYSA-N
XLogP4.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-hydroxypropan-2-yl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 110887326
methyl 3-methyl-2-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]pentanoate
CID 112791596
N-(3-hydroxypropyl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 110878183
methylamino 2-(2-methyl-4-phenylquinolin-3-yl)acetate
CID 146289922
N-[(2-methoxyphenyl)methyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 25496428
N-butan-2-yl-3-[[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]methyl]benzamide
CID 112835490
N-(2-ethoxyphenyl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 112790890
N-butan-2-yl-2-[4-[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]piperazin-1-yl]acetamide
CID 112814409
methyl 2-methyl-2-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]pentanoate
CID 112822200
3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]propyl propan-2-yl phosphate
CID 154030021
2-(2-methyl-4-phenylquinolin-3-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 112794963
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 112788926

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-phenylquinolin-3-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(2-methyl-4-phenylquinolin-3-yl)-N-propan-2-ylacetamide (CID 112759088) is 2-(2-methyl-4-phenylquinolin-3-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2-methyl-4-phenylquinolin-3-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2-methyl-4-phenylquinolin-3-yl)-N-propan-2-ylacetamide is Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)NC(C)C.
What is the InChIKey of 2-(2-methyl-4-phenylquinolin-3-yl)-N-propan-2-ylacetamide?
The InChIKey is BHEFXZFUTUJRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-14(2)22-20(24)13-18-15(3)23-19-12-8-7-11-17(19)21(18)16-9-5-4-6-10-16/h4-12,14H,13H2,1-3H3,(H,22,24).
What are the key properties of 2-(2-methyl-4-phenylquinolin-3-yl)-N-propan-2-ylacetamide?
2-(2-methyl-4-phenylquinolin-3-yl)-N-propan-2-ylacetamide has a molecular weight of 318.42 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-phenylquinolin-3-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 112759088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).