(4-methylphenyl)-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone

C22H27N3O — CID 110361439

IUPAC(4-methylphenyl)-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(CCN3CCCC3)c3ccccc32)cc1
InChIInChI=1S/C22H27N3O/c1-18-8-10-19(11-9-18)22(26)25-17-16-24(15-14-23-12-4-5-13-23)20-6-2-3-7-21(20)25/h2-3,6-11H,4-5,12-17H2,1H3
InChIKeyPNZULOZIKHMNLX-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.56
Rot. Bonds4

About (4-methylphenyl)-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone

(4-methylphenyl)-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone (PubChem CID 110361439) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is (4-methylphenyl)-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylphenyl)-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone
PubChem CID110361439
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name(4-methylphenyl)-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(CCN3CCCC3)c3ccccc32)cc1
InChIInChI=1S/C22H27N3O/c1-18-8-10-19(11-9-18)22(26)25-17-16-24(15-14-23-12-4-5-13-23)20-6-2-3-7-21(20)25/h2-3,6-11H,4-5,12-17H2,1H3
InChIKeyPNZULOZIKHMNLX-UHFFFAOYSA-N
XLogP3.56
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-methylphenyl)-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methyl-2,3-dihydroquinoxalin-1-yl)-(4-methylphenyl)methanone
CID 110715085
(2,6-dimethoxyphenyl)-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone
CID 110361448
1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]butan-1-one
CID 110361424
1,3-benzodioxol-5-yl-[4-(2-morpholin-4-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone
CID 110361578
2-(4-methoxyphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 110361453
3-(2-methoxyphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]propan-1-one
CID 110361480
[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-pyridin-4-ylmethanone
CID 84512347
2,2-dimethyl-1-[4-(2-morpholin-4-ylethyl)-2,3-dihydroquinoxalin-1-yl]propan-1-one
CID 110361546
N-[4-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl]phenyl]-2-phenylbenzamide
CID 10698351
1-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110422476
1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 3024978
(4-methylphenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone
CID 63101076

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone?
The IUPAC name of (4-methylphenyl)-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone (CID 110361439) is (4-methylphenyl)-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone.
What is the SMILES notation for (4-methylphenyl)-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone?
The canonical SMILES for (4-methylphenyl)-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone is Cc1ccc(C(=O)N2CCN(CCN3CCCC3)c3ccccc32)cc1.
What is the InChIKey of (4-methylphenyl)-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone?
The InChIKey is PNZULOZIKHMNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-18-8-10-19(11-9-18)22(26)25-17-16-24(15-14-23-12-4-5-13-23)20-6-2-3-7-21(20)25/h2-3,6-11H,4-5,12-17H2,1H3.
What are the key properties of (4-methylphenyl)-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone?
(4-methylphenyl)-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone has a molecular weight of 349.48 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone is sourced from PubChem (CID 110361439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).