4-[4-(2-aminoethylamino)-6-methylquinolin-2-yl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one

C21H23N5O — CID 71254666

IUPAC4-[4-(2-aminoethylamino)-6-methylquinolin-2-yl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESCc1ccc2nc(N3CC(=O)Nc4ccccc4C3)cc(NCCN)c2c1
InChIInChI=1S/C21H23N5O/c1-14-6-7-18-16(10-14)19(23-9-8-22)11-20(24-18)26-12-15-4-2-3-5-17(15)25-21(27)13-26/h2-7,10-11H,8-9,12-13,22H2,1H3,(H,23,24)(H,25,27)
InChIKeyWOFKSVPPBBPGPK-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.87
Rot. Bonds4

About 4-[4-(2-aminoethylamino)-6-methylquinolin-2-yl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one

4-[4-(2-aminoethylamino)-6-methylquinolin-2-yl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one (PubChem CID 71254666) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 4-[4-(2-aminoethylamino)-6-methylquinolin-2-yl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name4-[4-(2-aminoethylamino)-6-methylquinolin-2-yl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one
PubChem CID71254666
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name4-[4-(2-aminoethylamino)-6-methylquinolin-2-yl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESCc1ccc2nc(N3CC(=O)Nc4ccccc4C3)cc(NCCN)c2c1
InChIInChI=1S/C21H23N5O/c1-14-6-7-18-16(10-14)19(23-9-8-22)11-20(24-18)26-12-15-4-2-3-5-17(15)25-21(27)13-26/h2-7,10-11H,8-9,12-13,22H2,1H3,(H,23,24)(H,25,27)
InChIKeyWOFKSVPPBBPGPK-UHFFFAOYSA-N
XLogP2.87
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[4-(2-aminoethylamino)-6-methylquinolin-2-yl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one 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

Bms-681
CID 68764898
2-(2-methylquinolin-4-ylamino)-N-phenylacetamide
CID 44596230
N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]acetamide
CID 146018719
1-[2-(Dimethylamino)quinolin-4-yl]-3-phenylurea
CID 2824465
6-Phenylaminomethyl-quinazoline-2,4-diamine
CID 487412
1-(2-(Diethylamino)quinazolin-4-yl)-3-phenylurea
CID 10640536
N-[3-(4-Aminoquinazolin-6-Yl)-5-Fluorophenyl]-2-(Pyrrolidin-1-Yl)acetamide
CID 72705490
(S)-1-((1S,2R,4R)-2-ethyl-4-(isopropyl(methyl)amino)-cyclohexyl)-3-(6-(trifluoromethyl)quinazolin-4-ylamino)pyrrolidin-2-one
CID 68764925
1-{(E)-amino[(4,6-dimethylquinazolin-2-yl)amino]methylidene}-3-cyclohexylurea
CID 135543905
N(1),N(1)-Dimethyl-N(2)-(2-phenyl-4-quinazolinyl)-1,2-ethanediamine
CID 454716
4-{8-[butyl(ethyl)amino]-6-methyl-2-oxo-1H,2H,3H,4H-pyrido[2,3-b]pyrazin-4-yl}-3-methylbenzonitrile
CID 24768339
N,N-dihexyl-4-phenylquinazoline-2-carboxamide
CID 57522722

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminoethylamino)-6-methylquinolin-2-yl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The IUPAC name of 4-[4-(2-aminoethylamino)-6-methylquinolin-2-yl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one (CID 71254666) is 4-[4-(2-aminoethylamino)-6-methylquinolin-2-yl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 4-[4-(2-aminoethylamino)-6-methylquinolin-2-yl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The canonical SMILES for 4-[4-(2-aminoethylamino)-6-methylquinolin-2-yl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one is Cc1ccc2nc(N3CC(=O)Nc4ccccc4C3)cc(NCCN)c2c1.
What is the InChIKey of 4-[4-(2-aminoethylamino)-6-methylquinolin-2-yl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The InChIKey is WOFKSVPPBBPGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-14-6-7-18-16(10-14)19(23-9-8-22)11-20(24-18)26-12-15-4-2-3-5-17(15)25-21(27)13-26/h2-7,10-11H,8-9,12-13,22H2,1H3,(H,23,24)(H,25,27).
What are the key properties of 4-[4-(2-aminoethylamino)-6-methylquinolin-2-yl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
4-[4-(2-aminoethylamino)-6-methylquinolin-2-yl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one has a molecular weight of 361.45 g/mol, XLogP of 2.87, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminoethylamino)-6-methylquinolin-2-yl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 71254666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).