N-(3-hydroxypropyl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide

C21H22N2O2 — CID 110878183

IUPACN-(3-hydroxypropyl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
SMILESCc1nc2ccccc2c(-c2ccccc2)c1CC(=O)NCCCO
InChIInChI=1S/C21H22N2O2/c1-15-18(14-20(25)22-12-7-13-24)21(16-8-3-2-4-9-16)17-10-5-6-11-19(17)23-15/h2-6,8-11,24H,7,12-14H2,1H3,(H,22,25)
InChIKeyKMMCDJDYZSVFRF-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.25
Rot. Bonds6

About N-(3-hydroxypropyl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide

N-(3-hydroxypropyl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide (PubChem CID 110878183) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
PubChem CID110878183
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-(3-hydroxypropyl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
SMILESCc1nc2ccccc2c(-c2ccccc2)c1CC(=O)NCCCO
InChIInChI=1S/C21H22N2O2/c1-15-18(14-20(25)22-12-7-13-24)21(16-8-3-2-4-9-16)17-10-5-6-11-19(17)23-15/h2-6,8-11,24H,7,12-14H2,1H3,(H,22,25)
InChIKeyKMMCDJDYZSVFRF-UHFFFAOYSA-N
XLogP3.25
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 112788926
N-[2-(3,4-dihydroxyphenyl)ethyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 112771444
2-(2-methyl-4-phenylquinolin-3-yl)-N-propan-2-ylacetamide
CID 112759088
3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]propyl propan-2-yl phosphate
CID 154030021
N-(1-hydroxypropan-2-yl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 110887326
N-[(2-methoxyphenyl)methyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 25496428
methylamino 2-(2-methyl-4-phenylquinolin-3-yl)acetate
CID 146289922
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 112794841
N-[4-methyl-3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]phenyl]benzamide
CID 112834104
N-(2-ethoxyphenyl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 112790890
N-butan-2-yl-3-[[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]methyl]benzamide
CID 112835490
2-(2-methyl-4-phenylquinolin-3-yl)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
CID 112820574

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide?
The IUPAC name of N-(3-hydroxypropyl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide (CID 110878183) is N-(3-hydroxypropyl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide?
The canonical SMILES for N-(3-hydroxypropyl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide is Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)NCCCO.
What is the InChIKey of N-(3-hydroxypropyl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide?
The InChIKey is KMMCDJDYZSVFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-15-18(14-20(25)22-12-7-13-24)21(16-8-3-2-4-9-16)17-10-5-6-11-19(17)23-15/h2-6,8-11,24H,7,12-14H2,1H3,(H,22,25).
What are the key properties of N-(3-hydroxypropyl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide?
N-(3-hydroxypropyl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide has a molecular weight of 334.42 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide is sourced from PubChem (CID 110878183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).