4-amino-7-chloro-3,4-dihydro-1H-quinolin-2-one

C9H9ClN2O — CID 82158219

IUPAC4-amino-7-chloro-3,4-dihydro-1H-quinolin-2-one
SMILESNC1CC(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C9H9ClN2O/c10-5-1-2-6-7(11)4-9(13)12-8(6)3-5/h1-3,7H,4,11H2,(H,12,13)
InChIKeyINSNIQMNPYAAMY-UHFFFAOYSA-N
MW196.64 g/mol
LogP1.68
Rot. Bonds

About 4-amino-7-chloro-3,4-dihydro-1H-quinolin-2-one

4-amino-7-chloro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 82158219) has the molecular formula C9H9ClN2O and a molecular weight of 196.64 g/mol. Its IUPAC name is 4-amino-7-chloro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-amino-7-chloro-3,4-dihydro-1H-quinolin-2-one
PubChem CID82158219
Molecular FormulaC9H9ClN2O
Molecular Weight196.64 g/mol
Exact Mass196.04
IUPAC Name4-amino-7-chloro-3,4-dihydro-1H-quinolin-2-one
SMILESNC1CC(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C9H9ClN2O/c10-5-1-2-6-7(11)4-9(13)12-8(6)3-5/h1-3,7H,4,11H2,(H,12,13)
InChIKeyINSNIQMNPYAAMY-UHFFFAOYSA-N
XLogP1.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7-chloro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-amino-7-chloro-3,4-dihydro-1H-quinolin-2-one (CID 82158219) is 4-amino-7-chloro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-amino-7-chloro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-amino-7-chloro-3,4-dihydro-1H-quinolin-2-one is NC1CC(=O)Nc2cc(Cl)ccc21.
What is the InChIKey of 4-amino-7-chloro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is INSNIQMNPYAAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O/c10-5-1-2-6-7(11)4-9(13)12-8(6)3-5/h1-3,7H,4,11H2,(H,12,13).
What are the key properties of 4-amino-7-chloro-3,4-dihydro-1H-quinolin-2-one?
4-amino-7-chloro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 196.64 g/mol, XLogP of 1.68, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-chloro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 82158219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).