6-(3-aminopropyl)-8-chloro-5-hydroxy-4,4-dimethyl-1,3-dihydroquinolin-2-one

C14H19ClN2O2 — CID 87984439

IUPAC6-(3-aminopropyl)-8-chloro-5-hydroxy-4,4-dimethyl-1,3-dihydroquinolin-2-one
SMILESCC1(C)CC(=O)Nc2c(Cl)cc(CCCN)c(O)c21
InChIInChI=1S/C14H19ClN2O2/c1-14(2)7-10(18)17-12-9(15)6-8(4-3-5-16)13(19)11(12)14/h6,19H,3-5,7,16H2,1-2H3,(H,17,18)
InChIKeyPKLJRYQXBRQHNG-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.56
Rot. Bonds3

About 6-(3-aminopropyl)-8-chloro-5-hydroxy-4,4-dimethyl-1,3-dihydroquinolin-2-one

6-(3-aminopropyl)-8-chloro-5-hydroxy-4,4-dimethyl-1,3-dihydroquinolin-2-one (PubChem CID 87984439) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 6-(3-aminopropyl)-8-chloro-5-hydroxy-4,4-dimethyl-1,3-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-(3-aminopropyl)-8-chloro-5-hydroxy-4,4-dimethyl-1,3-dihydroquinolin-2-one
PubChem CID87984439
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name6-(3-aminopropyl)-8-chloro-5-hydroxy-4,4-dimethyl-1,3-dihydroquinolin-2-one
SMILESCC1(C)CC(=O)Nc2c(Cl)cc(CCCN)c(O)c21
InChIInChI=1S/C14H19ClN2O2/c1-14(2)7-10(18)17-12-9(15)6-8(4-3-5-16)13(19)11(12)14/h6,19H,3-5,7,16H2,1-2H3,(H,17,18)
InChIKeyPKLJRYQXBRQHNG-UHFFFAOYSA-N
XLogP2.56
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 6-(3-aminopropyl)-8-chloro-5-hydroxy-4,4-dimethyl-1,3-dihydroquinolin-2-one with MolForge

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Related Compounds

8-chloro-7-fluoro-5-hydroxy-3,4-dihydro-1H-quinolin-2-one
CID 118904646
N-(8-chloro-5-hydroxy-4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)acetamide
CID 9835466
8-Chloro-5-hydroxy-3,4-dihydrocarbostyril
CID 12899140
5-Hydroxy-6,8-dichloro-3,4-dihydrocarbostyril
CID 12899417
6-(diethylaminomethyl)-5-hydroxy-8-methyl-3,4-dihydro-1H-quinolin-2-one
CID 15650362
8-(diethylaminomethyl)-5-hydroxy-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 15676983
5-Hydroxy-4,4,6,8-tetramethyl-1,3-dihydroquinolin-2-one
CID 20719518
N-(8-chloro-5-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
CID 23064232
6-Amino-8-chloro-5-hydroxy-4,4-dimethyl-1,3-dihydroquinolin-2-one
CID 23064236
N-(8-chloro-5-hydroxy-4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)propanamide
CID 23064238
N-(8-chloro-5-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 23064252
6-(diethylaminomethyl)-5-hydroxy-3,4-dihydro-1H-quinolin-2-one
CID 23287797

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminopropyl)-8-chloro-5-hydroxy-4,4-dimethyl-1,3-dihydroquinolin-2-one?
The IUPAC name of 6-(3-aminopropyl)-8-chloro-5-hydroxy-4,4-dimethyl-1,3-dihydroquinolin-2-one (CID 87984439) is 6-(3-aminopropyl)-8-chloro-5-hydroxy-4,4-dimethyl-1,3-dihydroquinolin-2-one.
What is the SMILES notation for 6-(3-aminopropyl)-8-chloro-5-hydroxy-4,4-dimethyl-1,3-dihydroquinolin-2-one?
The canonical SMILES for 6-(3-aminopropyl)-8-chloro-5-hydroxy-4,4-dimethyl-1,3-dihydroquinolin-2-one is CC1(C)CC(=O)Nc2c(Cl)cc(CCCN)c(O)c21.
What is the InChIKey of 6-(3-aminopropyl)-8-chloro-5-hydroxy-4,4-dimethyl-1,3-dihydroquinolin-2-one?
The InChIKey is PKLJRYQXBRQHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-14(2)7-10(18)17-12-9(15)6-8(4-3-5-16)13(19)11(12)14/h6,19H,3-5,7,16H2,1-2H3,(H,17,18).
What are the key properties of 6-(3-aminopropyl)-8-chloro-5-hydroxy-4,4-dimethyl-1,3-dihydroquinolin-2-one?
6-(3-aminopropyl)-8-chloro-5-hydroxy-4,4-dimethyl-1,3-dihydroquinolin-2-one has a molecular weight of 282.77 g/mol, XLogP of 2.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminopropyl)-8-chloro-5-hydroxy-4,4-dimethyl-1,3-dihydroquinolin-2-one is sourced from PubChem (CID 87984439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).