6-[2-chloro-5-(methylamino)-4-nitroanilino]-3,4-dihydro-1H-quinolin-2-one

C16H15ClN4O3 — CID 156729563

IUPAC6-[2-chloro-5-(methylamino)-4-nitroanilino]-3,4-dihydro-1H-quinolin-2-one
SMILESCNc1cc(Nc2ccc3c(c2)CCC(=O)N3)c(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C16H15ClN4O3/c1-18-14-8-13(11(17)7-15(14)21(23)24)19-10-3-4-12-9(6-10)2-5-16(22)20-12/h3-4,6-8,18-19H,2,5H2,1H3,(H,20,22)
InChIKeyYGXGEAHZPBEYCT-UHFFFAOYSA-N
MW346.77 g/mol
LogP3.92
Rot. Bonds4

About 6-[2-chloro-5-(methylamino)-4-nitroanilino]-3,4-dihydro-1H-quinolin-2-one

6-[2-chloro-5-(methylamino)-4-nitroanilino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 156729563) has the molecular formula C16H15ClN4O3 and a molecular weight of 346.77 g/mol. Its IUPAC name is 6-[2-chloro-5-(methylamino)-4-nitroanilino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-chloro-5-(methylamino)-4-nitroanilino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID156729563
Molecular FormulaC16H15ClN4O3
Molecular Weight346.77 g/mol
Exact Mass346.08
IUPAC Name6-[2-chloro-5-(methylamino)-4-nitroanilino]-3,4-dihydro-1H-quinolin-2-one
SMILESCNc1cc(Nc2ccc3c(c2)CCC(=O)N3)c(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C16H15ClN4O3/c1-18-14-8-13(11(17)7-15(14)21(23)24)19-10-3-4-12-9(6-10)2-5-16(22)20-12/h3-4,6-8,18-19H,2,5H2,1H3,(H,20,22)
InChIKeyYGXGEAHZPBEYCT-UHFFFAOYSA-N
XLogP3.92
TPSA96.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-[2-chloro-5-(methylamino)-4-nitroanilino]-3,4-dihydro-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

6-(2-nitroanilino)-3,4-dihydro-1H-quinolin-2-one
CID 170034457
ethane;6-(methylamino)-3,4-dihydro-1H-quinolin-2-one
CID 142404052
6-[(1S)-1-[5-chloro-2-nitro-4-(trifluoromethyl)anilino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 97020909
6-[(1-methylpyrazol-4-yl)amino]-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 43543823
6-(ethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 43449821
7-[(2-hydroxy-2-methylpropyl)amino]-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 115618366
N-(2-chloro-5-methoxy-4-nitrophenyl)-6-methylidene-7,8-dihydro-5H-naphthalen-2-amine
CID 167619815
6-[1-(4-bromo-2-nitroanilino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 78897834
4,5-dichloro-N-methyl-2-nitroaniline;methanamine
CID 159967035
7-methyl-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 66881586
6-(cyclopropylmethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 43449824
7-[(1-methylcyclobutyl)amino]-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 115765386

Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-5-(methylamino)-4-nitroanilino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-chloro-5-(methylamino)-4-nitroanilino]-3,4-dihydro-1H-quinolin-2-one (CID 156729563) is 6-[2-chloro-5-(methylamino)-4-nitroanilino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-chloro-5-(methylamino)-4-nitroanilino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-chloro-5-(methylamino)-4-nitroanilino]-3,4-dihydro-1H-quinolin-2-one is CNc1cc(Nc2ccc3c(c2)CCC(=O)N3)c(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 6-[2-chloro-5-(methylamino)-4-nitroanilino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is YGXGEAHZPBEYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O3/c1-18-14-8-13(11(17)7-15(14)21(23)24)19-10-3-4-12-9(6-10)2-5-16(22)20-12/h3-4,6-8,18-19H,2,5H2,1H3,(H,20,22).
What are the key properties of 6-[2-chloro-5-(methylamino)-4-nitroanilino]-3,4-dihydro-1H-quinolin-2-one?
6-[2-chloro-5-(methylamino)-4-nitroanilino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 346.77 g/mol, XLogP of 3.92, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-5-(methylamino)-4-nitroanilino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 156729563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).