7-amino-4-methyl-1H-quinolin-2-one;benzene-1,3-diamine

C16H18N4O — CID 159619510

IUPAC7-amino-4-methyl-1H-quinolin-2-one;benzene-1,3-diamine
SMILESCc1cc(=O)[nH]c2cc(N)ccc12.Nc1cccc(N)c1
InChIInChI=1S/C10H10N2O.C6H8N2/c1-6-4-10(13)12-9-5-7(11)2-3-8(6)9;7-5-2-1-3-6(8)4-5/h2-5H,11H2,1H3,(H,12,13);1-4H,7-8H2
InChIKeyMNSFJYBOLXMAEP-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.27
Rot. Bonds

About 7-amino-4-methyl-1H-quinolin-2-one;benzene-1,3-diamine

7-amino-4-methyl-1H-quinolin-2-one;benzene-1,3-diamine (PubChem CID 159619510) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 7-amino-4-methyl-1H-quinolin-2-one;benzene-1,3-diamine.

Molecular Properties

Compound Name7-amino-4-methyl-1H-quinolin-2-one;benzene-1,3-diamine
PubChem CID159619510
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name7-amino-4-methyl-1H-quinolin-2-one;benzene-1,3-diamine
SMILESCc1cc(=O)[nH]c2cc(N)ccc12.Nc1cccc(N)c1
InChIInChI=1S/C10H10N2O.C6H8N2/c1-6-4-10(13)12-9-5-7(11)2-3-8(6)9;7-5-2-1-3-6(8)4-5/h2-5H,11H2,1H3,(H,12,13);1-4H,7-8H2
InChIKeyMNSFJYBOLXMAEP-UHFFFAOYSA-N
XLogP2.27
TPSA110.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

6-amino-3-methyl-1H-indole-2-carbaldehyde
CID 96630486
N-methylmethanamine;4-methyl-1H-quinolin-2-one
CID 143468896
ethane;4-methyl-1H-quinolin-2-one;molecular hydrogen
CID 142225291
7-ethoxy-4-methyl-1H-quinolin-2-one
CID 121226556
benzene-1,3-diamine
CID 7935
N-[1-(cyclopropylmethyl)piperidin-4-yl]-4-methyl-2-oxo-1H-quinoline-7-carboxamide
CID 146132326
(1S,2R,6S,7R,8S,10R)-4-(4-methyl-2-oxo-1H-quinolin-7-yl)-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione
CID 68542059
7-amino-3-(2,2-dimethylpropyl)-4-methyl-1H-quinolin-2-one
CID 91459928
4-amino-8-methyl-1H-quinolin-2-one
CID 14627645
5-amino-6-methyl-1H-quinolin-2-one
CID 22226614
(1R,2S,6R,7S)-4-(4-methyl-2-oxo-1H-quinolin-7-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 68543201
6-amino-4-(trifluoromethyl)-1H-quinolin-2-one;ethane
CID 142046924

Frequently Asked Questions

What is the IUPAC name of 7-amino-4-methyl-1H-quinolin-2-one;benzene-1,3-diamine?
The IUPAC name of 7-amino-4-methyl-1H-quinolin-2-one;benzene-1,3-diamine (CID 159619510) is 7-amino-4-methyl-1H-quinolin-2-one;benzene-1,3-diamine.
What is the SMILES notation for 7-amino-4-methyl-1H-quinolin-2-one;benzene-1,3-diamine?
The canonical SMILES for 7-amino-4-methyl-1H-quinolin-2-one;benzene-1,3-diamine is Cc1cc(=O)[nH]c2cc(N)ccc12.Nc1cccc(N)c1.
What is the InChIKey of 7-amino-4-methyl-1H-quinolin-2-one;benzene-1,3-diamine?
The InChIKey is MNSFJYBOLXMAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O.C6H8N2/c1-6-4-10(13)12-9-5-7(11)2-3-8(6)9;7-5-2-1-3-6(8)4-5/h2-5H,11H2,1H3,(H,12,13);1-4H,7-8H2.
What are the key properties of 7-amino-4-methyl-1H-quinolin-2-one;benzene-1,3-diamine?
7-amino-4-methyl-1H-quinolin-2-one;benzene-1,3-diamine has a molecular weight of 282.35 g/mol, XLogP of 2.27, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-methyl-1H-quinolin-2-one;benzene-1,3-diamine is sourced from PubChem (CID 159619510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).