8-[(3-chloro-2-hydroxypropyl)amino]-3,4-dihydro-1H-quinolin-2-one

C12H15ClN2O2 — CID 168637313

IUPAC8-[(3-chloro-2-hydroxypropyl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cccc(NCC(O)CCl)c2N1
InChIInChI=1S/C12H15ClN2O2/c13-6-9(16)7-14-10-3-1-2-8-4-5-11(17)15-12(8)10/h1-3,9,14,16H,4-7H2,(H,15,17)
InChIKeyVFGBMNHTHLKUID-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.58
Rot. Bonds4

About 8-[(3-chloro-2-hydroxypropyl)amino]-3,4-dihydro-1H-quinolin-2-one

8-[(3-chloro-2-hydroxypropyl)amino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 168637313) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 8-[(3-chloro-2-hydroxypropyl)amino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name8-[(3-chloro-2-hydroxypropyl)amino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID168637313
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name8-[(3-chloro-2-hydroxypropyl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cccc(NCC(O)CCl)c2N1
InChIInChI=1S/C12H15ClN2O2/c13-6-9(16)7-14-10-3-1-2-8-4-5-11(17)15-12(8)10/h1-3,9,14,16H,4-7H2,(H,15,17)
InChIKeyVFGBMNHTHLKUID-UHFFFAOYSA-N
XLogP1.58
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-(3-chloro-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 20540658
8-[(3-chloro-2-hydroxypropyl)amino]-2,4-dihydro-1H-isoquinolin-3-one
CID 168640185
1-[(3-chloro-2-hydroxypropyl)amino]anthracene-9,10-dione
CID 3142375
7-[(3-chloro-2-hydroxypropyl)amino]-2-methyl-3H-isoindol-1-one
CID 168637149
5-[(3-chloro-2-hydroxypropyl)amino]-2H-isoquinolin-1-one
CID 168638940
8-(2-chloropropanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 57115682
5-(2,3-dihydroxypropylamino)-2,4-dihydro-1H-isoquinolin-3-one
CID 168594667
2-[(3-chloro-2-hydroxypropyl)amino]-N-methylbenzamide
CID 168640662
(2-oxo-3,4-dihydro-1H-quinolin-8-yl)methanesulfonyl chloride
CID 117403381
1-chloro-3-[2-(cyclopropylamino)anilino]propan-2-ol
CID 168639689
1-chloro-3-(3-chloro-2-pyrrolidin-1-ylanilino)propan-2-ol
CID 168637300
3-(2,3-dihydro-1H-inden-4-ylamino)propane-1,2-diol
CID 168593617

Frequently Asked Questions

What is the IUPAC name of 8-[(3-chloro-2-hydroxypropyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 8-[(3-chloro-2-hydroxypropyl)amino]-3,4-dihydro-1H-quinolin-2-one (CID 168637313) is 8-[(3-chloro-2-hydroxypropyl)amino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 8-[(3-chloro-2-hydroxypropyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 8-[(3-chloro-2-hydroxypropyl)amino]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cccc(NCC(O)CCl)c2N1.
What is the InChIKey of 8-[(3-chloro-2-hydroxypropyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is VFGBMNHTHLKUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c13-6-9(16)7-14-10-3-1-2-8-4-5-11(17)15-12(8)10/h1-3,9,14,16H,4-7H2,(H,15,17).
What are the key properties of 8-[(3-chloro-2-hydroxypropyl)amino]-3,4-dihydro-1H-quinolin-2-one?
8-[(3-chloro-2-hydroxypropyl)amino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 254.72 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-chloro-2-hydroxypropyl)amino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 168637313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).