N-(8-chloro-5-hydroxy-4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)propanamide

C14H17ClN2O3 — CID 23064238

IUPACN-(8-chloro-5-hydroxy-4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)propanamide
SMILESCCC(=O)Nc1cc(Cl)c2c(c1O)C(C)(C)CC(=O)N2
InChIInChI=1S/C14H17ClN2O3/c1-4-9(18)16-8-5-7(15)12-11(13(8)20)14(2,3)6-10(19)17-12/h5,20H,4,6H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyJDJZWDSVAMHOIU-UHFFFAOYSA-N
MW296.75 g/mol
LogP3.01
Rot. Bonds2

About N-(8-chloro-5-hydroxy-4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)propanamide

N-(8-chloro-5-hydroxy-4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)propanamide (PubChem CID 23064238) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is N-(8-chloro-5-hydroxy-4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)propanamide.

Molecular Properties

Compound NameN-(8-chloro-5-hydroxy-4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)propanamide
PubChem CID23064238
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC NameN-(8-chloro-5-hydroxy-4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)propanamide
SMILESCCC(=O)Nc1cc(Cl)c2c(c1O)C(C)(C)CC(=O)N2
InChIInChI=1S/C14H17ClN2O3/c1-4-9(18)16-8-5-7(15)12-11(13(8)20)14(2,3)6-10(19)17-12/h5,20H,4,6H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyJDJZWDSVAMHOIU-UHFFFAOYSA-N
XLogP3.01
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(8-chloro-5-hydroxy-4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)propanamide?
The IUPAC name of N-(8-chloro-5-hydroxy-4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)propanamide (CID 23064238) is N-(8-chloro-5-hydroxy-4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)propanamide.
What is the SMILES notation for N-(8-chloro-5-hydroxy-4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)propanamide?
The canonical SMILES for N-(8-chloro-5-hydroxy-4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)propanamide is CCC(=O)Nc1cc(Cl)c2c(c1O)C(C)(C)CC(=O)N2.
What is the InChIKey of N-(8-chloro-5-hydroxy-4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)propanamide?
The InChIKey is JDJZWDSVAMHOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-4-9(18)16-8-5-7(15)12-11(13(8)20)14(2,3)6-10(19)17-12/h5,20H,4,6H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N-(8-chloro-5-hydroxy-4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)propanamide?
N-(8-chloro-5-hydroxy-4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)propanamide has a molecular weight of 296.75 g/mol, XLogP of 3.01, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-chloro-5-hydroxy-4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)propanamide is sourced from PubChem (CID 23064238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).