7-amino-6-(5-bromo-2-methylanilino)-3,4-dihydro-1H-quinolin-2-one

C16H16BrN3O — CID 43805901

IUPAC7-amino-6-(5-bromo-2-methylanilino)-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccc(Br)cc1Nc1cc2c(cc1N)NC(=O)CC2
InChIInChI=1S/C16H16BrN3O/c1-9-2-4-11(17)7-13(9)19-15-6-10-3-5-16(21)20-14(10)8-12(15)18/h2,4,6-8,19H,3,5,18H2,1H3,(H,20,21)
InChIKeyQISYKNZVLARUPD-UHFFFAOYSA-N
MW346.23 g/mol
LogP3.97
Rot. Bonds2

About 7-amino-6-(5-bromo-2-methylanilino)-3,4-dihydro-1H-quinolin-2-one

7-amino-6-(5-bromo-2-methylanilino)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43805901) has the molecular formula C16H16BrN3O and a molecular weight of 346.23 g/mol. Its IUPAC name is 7-amino-6-(5-bromo-2-methylanilino)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-amino-6-(5-bromo-2-methylanilino)-3,4-dihydro-1H-quinolin-2-one
PubChem CID43805901
Molecular FormulaC16H16BrN3O
Molecular Weight346.23 g/mol
Exact Mass345.05
IUPAC Name7-amino-6-(5-bromo-2-methylanilino)-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccc(Br)cc1Nc1cc2c(cc1N)NC(=O)CC2
InChIInChI=1S/C16H16BrN3O/c1-9-2-4-11(17)7-13(9)19-15-6-10-3-5-16(21)20-14(10)8-12(15)18/h2,4,6-8,19H,3,5,18H2,1H3,(H,20,21)
InChIKeyQISYKNZVLARUPD-UHFFFAOYSA-N
XLogP3.97
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-amino-7-(5-bromo-2-fluoroanilino)-3,4-dihydro-1H-quinolin-2-one
CID 43555546
2-N-(5-bromo-2-methylphenyl)-4,5-dimethylbenzene-1,2-diamine
CID 115126652
4-[(7-amino-2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]benzonitrile
CID 43449875
7-amino-6-[(1-methylpyrazol-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 79771091
7-amino-6-[(4-methylphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43449799
2-N-(5-bromo-2-methylphenyl)-4,5-difluorobenzene-1,2-diamine
CID 112751793
6-amino-7-(5-chloro-2-fluoroanilino)-3,4-dihydro-1H-quinolin-2-one
CID 43455637
7-amino-6-(4-chloro-3-fluoroanilino)-3,4-dihydro-1H-quinolin-2-one
CID 61466760
7-amino-6-(but-3-en-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 113480802
6-amino-7-(2,3-difluoroanilino)-3,4-dihydro-1H-quinolin-2-one
CID 61075174
2-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-4-bromobenzonitrile
CID 107797097
4-bromo-1-N-(5-bromo-2-methylphenyl)-5-fluorobenzene-1,2-diamine
CID 66111692

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-(5-bromo-2-methylanilino)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-amino-6-(5-bromo-2-methylanilino)-3,4-dihydro-1H-quinolin-2-one (CID 43805901) is 7-amino-6-(5-bromo-2-methylanilino)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-amino-6-(5-bromo-2-methylanilino)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-amino-6-(5-bromo-2-methylanilino)-3,4-dihydro-1H-quinolin-2-one is Cc1ccc(Br)cc1Nc1cc2c(cc1N)NC(=O)CC2.
What is the InChIKey of 7-amino-6-(5-bromo-2-methylanilino)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is QISYKNZVLARUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O/c1-9-2-4-11(17)7-13(9)19-15-6-10-3-5-16(21)20-14(10)8-12(15)18/h2,4,6-8,19H,3,5,18H2,1H3,(H,20,21).
What are the key properties of 7-amino-6-(5-bromo-2-methylanilino)-3,4-dihydro-1H-quinolin-2-one?
7-amino-6-(5-bromo-2-methylanilino)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 346.23 g/mol, XLogP of 3.97, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-(5-bromo-2-methylanilino)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43805901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).