3-[(Z)-1-amino-2-[4-(4-methyl-1,4-diazepan-1-yl)anilino]ethenyl]-1H-quinolin-2-one

C23H27N5O — CID 130242854

IUPAC3-[(Z)-1-amino-2-[4-(4-methyl-1,4-diazepan-1-yl)anilino]ethenyl]-1H-quinolin-2-one
SMILESCN1CCCN(c2ccc(N/C=C(\N)c3cc4ccccc4[nH]c3=O)cc2)CC1
InChIInChI=1S/C23H27N5O/c1-27-11-4-12-28(14-13-27)19-9-7-18(8-10-19)25-16-21(24)20-15-17-5-2-3-6-22(17)26-23(20)29/h2-3,5-10,15-16,25H,4,11-14,24H2,1H3,(H,26,29)/b21-16-
InChIKeyNNZHDSHJZUNAJF-PGMHBOJBSA-N
MW389.50 g/mol
LogP3.04
Rot. Bonds4

About 3-[(Z)-1-amino-2-[4-(4-methyl-1,4-diazepan-1-yl)anilino]ethenyl]-1H-quinolin-2-one

3-[(Z)-1-amino-2-[4-(4-methyl-1,4-diazepan-1-yl)anilino]ethenyl]-1H-quinolin-2-one (PubChem CID 130242854) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 3-[(Z)-1-amino-2-[4-(4-methyl-1,4-diazepan-1-yl)anilino]ethenyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(Z)-1-amino-2-[4-(4-methyl-1,4-diazepan-1-yl)anilino]ethenyl]-1H-quinolin-2-one
PubChem CID130242854
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name3-[(Z)-1-amino-2-[4-(4-methyl-1,4-diazepan-1-yl)anilino]ethenyl]-1H-quinolin-2-one
SMILESCN1CCCN(c2ccc(N/C=C(\N)c3cc4ccccc4[nH]c3=O)cc2)CC1
InChIInChI=1S/C23H27N5O/c1-27-11-4-12-28(14-13-27)19-9-7-18(8-10-19)25-16-21(24)20-15-17-5-2-3-6-22(17)26-23(20)29/h2-3,5-10,15-16,25H,4,11-14,24H2,1H3,(H,26,29)/b21-16-
InChIKeyNNZHDSHJZUNAJF-PGMHBOJBSA-N
XLogP3.04
TPSA77.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 3-[(Z)-1-amino-2-[4-(4-methyl-1,4-diazepan-1-yl)anilino]ethenyl]-1H-quinolin-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

3-[(Z)-1-amino-2-[3-fluoro-4-(morpholine-4-carbonyl)anilino]ethenyl]-1H-quinolin-2-one
CID 130244615
methyl 4-[[(Z)-2-amino-2-(2-oxo-1H-quinolin-3-yl)ethenyl]amino]pyridine-2-carboxylate
CID 130244896
diethyl 2-[[4-(4-methylpiperazin-1-yl)anilino]methylidene]propanedioate
CID 86628012
3-[(Z)-1-amino-2-[4-(morpholine-4-carbonyl)anilino]ethenyl]-1H-1,7-naphthyridin-2-one
CID 130243340
2-[2-[4-[[(Z)-2-amino-2-(6-fluoro-2-oxo-1H-quinolin-3-yl)ethenyl]amino]-N-methylanilino]ethyl-methylamino]acetaldehyde
CID 130244948
2-methyl-6-(4-methyl-1,4-diazepan-1-yl)-1H-indole
CID 54528949
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2-oxo-1H-quinoline-3-carboxamide
CID 25384816
2-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]-3H-quinazolin-4-one
CID 168553083
3-(4-methylpiperidine-1-carbonyl)-1H-quinolin-2-one
CID 16589973
(2R,3R)-2-methyl-1-(2-oxo-1H-quinoline-3-carbonyl)piperidine-3-carboxylic acid
CID 122115205
N-[4-(4-methylpiperazin-1-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 110862549
2-(4-methyl-1,4-diazepan-1-yl)-1H-benzimidazole
CID 10704647

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-1-amino-2-[4-(4-methyl-1,4-diazepan-1-yl)anilino]ethenyl]-1H-quinolin-2-one?
The IUPAC name of 3-[(Z)-1-amino-2-[4-(4-methyl-1,4-diazepan-1-yl)anilino]ethenyl]-1H-quinolin-2-one (CID 130242854) is 3-[(Z)-1-amino-2-[4-(4-methyl-1,4-diazepan-1-yl)anilino]ethenyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[(Z)-1-amino-2-[4-(4-methyl-1,4-diazepan-1-yl)anilino]ethenyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[(Z)-1-amino-2-[4-(4-methyl-1,4-diazepan-1-yl)anilino]ethenyl]-1H-quinolin-2-one is CN1CCCN(c2ccc(N/C=C(\N)c3cc4ccccc4[nH]c3=O)cc2)CC1.
What is the InChIKey of 3-[(Z)-1-amino-2-[4-(4-methyl-1,4-diazepan-1-yl)anilino]ethenyl]-1H-quinolin-2-one?
The InChIKey is NNZHDSHJZUNAJF-PGMHBOJBSA-N. The full InChI is InChI=1S/C23H27N5O/c1-27-11-4-12-28(14-13-27)19-9-7-18(8-10-19)25-16-21(24)20-15-17-5-2-3-6-22(17)26-23(20)29/h2-3,5-10,15-16,25H,4,11-14,24H2,1H3,(H,26,29)/b21-16-.
What are the key properties of 3-[(Z)-1-amino-2-[4-(4-methyl-1,4-diazepan-1-yl)anilino]ethenyl]-1H-quinolin-2-one?
3-[(Z)-1-amino-2-[4-(4-methyl-1,4-diazepan-1-yl)anilino]ethenyl]-1H-quinolin-2-one has a molecular weight of 389.50 g/mol, XLogP of 3.04, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-1-amino-2-[4-(4-methyl-1,4-diazepan-1-yl)anilino]ethenyl]-1H-quinolin-2-one is sourced from PubChem (CID 130242854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).