(3-methyl-2-phenylquinolin-4-yl)-morpholin-4-ylmethanone

C21H20N2O2 — CID 868745

IUPAC(3-methyl-2-phenylquinolin-4-yl)-morpholin-4-ylmethanone
SMILESCc1c(-c2ccccc2)nc2ccccc2c1C(=O)N1CCOCC1
InChIInChI=1S/C21H20N2O2/c1-15-19(21(24)23-11-13-25-14-12-23)17-9-5-6-10-18(17)22-20(15)16-7-3-2-4-8-16/h2-10H,11-14H2,1H3
InChIKeyVRHAPYZXCZFVCM-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.68
Rot. Bonds2

About (3-methyl-2-phenylquinolin-4-yl)-morpholin-4-ylmethanone

(3-methyl-2-phenylquinolin-4-yl)-morpholin-4-ylmethanone (PubChem CID 868745) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is (3-methyl-2-phenylquinolin-4-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(3-methyl-2-phenylquinolin-4-yl)-morpholin-4-ylmethanone
PubChem CID868745
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name(3-methyl-2-phenylquinolin-4-yl)-morpholin-4-ylmethanone
SMILESCc1c(-c2ccccc2)nc2ccccc2c1C(=O)N1CCOCC1
InChIInChI=1S/C21H20N2O2/c1-15-19(21(24)23-11-13-25-14-12-23)17-9-5-6-10-18(17)22-20(15)16-7-3-2-4-8-16/h2-10H,11-14H2,1H3
InChIKeyVRHAPYZXCZFVCM-UHFFFAOYSA-N
XLogP3.68
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-methyl-2-phenylquinoline-4-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 100655590
3-methyl-2-phenylquinoline-4-carboxylic acid;hydrochloride
CID 140991456
[3,6-dimethyl-2-(2-methylpyrimidin-5-yl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 31223639
2-(4-chlorophenyl)-3-methyl-N-morpholin-4-ylquinoline-4-carboxamide
CID 4638984
(4-benzylpiperazin-1-yl)-[2-(4-chlorophenyl)-3-methylquinolin-4-yl]methanone
CID 1023261
[2-(4-ethylphenyl)-3-methylquinolin-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone
CID 2220750
(4-benzhydrylpiperazin-1-yl)-[2-(4-methoxyphenyl)-3-methylquinolin-4-yl]methanone
CID 4080449
[2-(4-ethylphenyl)-3-methylquinolin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 1261265
(5-methyl-1,3-diphenylpyrazol-4-yl)-morpholin-4-ylmethanone
CID 3079318
3-methyl-2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 5008423
morpholin-4-yl(1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-10-yl)methanone
CID 58440618
2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 1220212

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-phenylquinolin-4-yl)-morpholin-4-ylmethanone?
The IUPAC name of (3-methyl-2-phenylquinolin-4-yl)-morpholin-4-ylmethanone (CID 868745) is (3-methyl-2-phenylquinolin-4-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (3-methyl-2-phenylquinolin-4-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (3-methyl-2-phenylquinolin-4-yl)-morpholin-4-ylmethanone is Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)N1CCOCC1.
What is the InChIKey of (3-methyl-2-phenylquinolin-4-yl)-morpholin-4-ylmethanone?
The InChIKey is VRHAPYZXCZFVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-15-19(21(24)23-11-13-25-14-12-23)17-9-5-6-10-18(17)22-20(15)16-7-3-2-4-8-16/h2-10H,11-14H2,1H3.
What are the key properties of (3-methyl-2-phenylquinolin-4-yl)-morpholin-4-ylmethanone?
(3-methyl-2-phenylquinolin-4-yl)-morpholin-4-ylmethanone has a molecular weight of 332.40 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-phenylquinolin-4-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 868745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).