7-amino-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one

C14H16N4O2 — CID 106369694

IUPAC7-amino-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cnc(CNc2cc3c(cc2N)NC(=O)CC3)o1
InChIInChI=1S/C14H16N4O2/c1-8-6-17-14(20-8)7-16-12-4-9-2-3-13(19)18-11(9)5-10(12)15/h4-6,16H,2-3,7,15H2,1H3,(H,18,19)
InChIKeyCGHFLXIAOCGVLB-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.06
Rot. Bonds3

About 7-amino-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one

7-amino-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 106369694) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 7-amino-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-amino-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID106369694
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name7-amino-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cnc(CNc2cc3c(cc2N)NC(=O)CC3)o1
InChIInChI=1S/C14H16N4O2/c1-8-6-17-14(20-8)7-16-12-4-9-2-3-13(19)18-11(9)5-10(12)15/h4-6,16H,2-3,7,15H2,1H3,(H,18,19)
InChIKeyCGHFLXIAOCGVLB-UHFFFAOYSA-N
XLogP2.06
TPSA93.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-amino-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]-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

7-amino-6-[(4-methylphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43449799
6-amino-7-(1,2,4-oxadiazol-3-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 106393294
2-[(7-amino-2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-N-propan-2-ylacetamide
CID 43567820
7-amino-6-[(4-hydroxyoxan-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 81133979
4-methoxy-1-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzene-1,2-diamine
CID 106369624
7-amino-6-(2-cyclopentylethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 60920159
7-amino-6-(thiolan-2-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 80584888
6-amino-7-[(3-methyl-2-propan-2-ylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 102903606
6-amino-7-[(4-hydroxy-2,2-dimethylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 106140613
5-amino-6-[(5-methylfuran-2-yl)methylamino]-1,3-dihydroindol-2-one
CID 62524524
7-amino-6-[(1-methylpyrazol-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 79771091
2-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-N-methylacetamide
CID 43383610

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-amino-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one (CID 106369694) is 7-amino-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-amino-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-amino-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one is Cc1cnc(CNc2cc3c(cc2N)NC(=O)CC3)o1.
What is the InChIKey of 7-amino-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is CGHFLXIAOCGVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-8-6-17-14(20-8)7-16-12-4-9-2-3-13(19)18-11(9)5-10(12)15/h4-6,16H,2-3,7,15H2,1H3,(H,18,19).
What are the key properties of 7-amino-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
7-amino-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 272.31 g/mol, XLogP of 2.06, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 106369694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).