(8S)-2-chloro-8-ethyl-5-methyl-5-prop-2-enyl-6,8-dihydro-1,6-naphthyridin-7-one

C14H17ClN2O — CID 170254757

IUPAC(8S)-2-chloro-8-ethyl-5-methyl-5-prop-2-enyl-6,8-dihydro-1,6-naphthyridin-7-one
SMILESC=CCC1(C)NC(=O)[C@@H](CC)c2nc(Cl)ccc21
InChIInChI=1S/C14H17ClN2O/c1-4-8-14(3)10-6-7-11(15)16-12(10)9(5-2)13(18)17-14/h4,6-7,9H,1,5,8H2,2-3H3,(H,17,18)/t9-,14?/m0/s1
InChIKeyNJYWOWWEBBSHBV-CUVJYRNJSA-N
MW264.76 g/mol
LogP3.15
Rot. Bonds3

About (8S)-2-chloro-8-ethyl-5-methyl-5-prop-2-enyl-6,8-dihydro-1,6-naphthyridin-7-one

(8S)-2-chloro-8-ethyl-5-methyl-5-prop-2-enyl-6,8-dihydro-1,6-naphthyridin-7-one (PubChem CID 170254757) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is (8S)-2-chloro-8-ethyl-5-methyl-5-prop-2-enyl-6,8-dihydro-1,6-naphthyridin-7-one.

Molecular Properties

Compound Name(8S)-2-chloro-8-ethyl-5-methyl-5-prop-2-enyl-6,8-dihydro-1,6-naphthyridin-7-one
PubChem CID170254757
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name(8S)-2-chloro-8-ethyl-5-methyl-5-prop-2-enyl-6,8-dihydro-1,6-naphthyridin-7-one
SMILESC=CCC1(C)NC(=O)[C@@H](CC)c2nc(Cl)ccc21
InChIInChI=1S/C14H17ClN2O/c1-4-8-14(3)10-6-7-11(15)16-12(10)9(5-2)13(18)17-14/h4,6-7,9H,1,5,8H2,2-3H3,(H,17,18)/t9-,14?/m0/s1
InChIKeyNJYWOWWEBBSHBV-CUVJYRNJSA-N
XLogP3.15
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (8S)-2-chloro-8-ethyl-5-methyl-5-prop-2-enyl-6,8-dihydro-1,6-naphthyridin-7-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

2-chloro-8-ethyl-5,5,8-trimethyl-6H-1,6-naphthyridin-7-one
CID 130326984
3-ethyl-5-methyl-5-phenylpyrrolidine-2,4-dione
CID 19438036
2-chloro-5,5,8,8-tetramethyl-6H-1,6-naphthyridin-7-one
CID 170254370
6-chloro-3-ethyl-3-methyl-1,4-dihydropyrido[2,3-b]pyrazin-2-one
CID 115473937
2-chloro-5,5,8-trimethyl-8-(pyrazol-1-ylmethyl)-6H-1,6-naphthyridin-7-one
CID 130326939
1,2-diethyl-4,4-bis(prop-2-enyl)pyrazolidine-3,5-dione
CID 67259415
(3S)-6-chloro-3-methyl-4-(3-methylbut-2-enyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one
CID 57151233
(3E)-6-chloro-3-propylidene-1H-pyrrolo[2,3-b]pyridin-2-one
CID 167005988
(7S,8R)-2-chloro-7-ethyl-8-methyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine
CID 167261652
2-chloro-6-ethyl-8,8-dimethyl-7H-1,6-naphthyridin-5-one
CID 87516822
6-chloro-4-ethyl-3,3-dimethyl-1H-pyrido[2,3-b]pyrazin-2-one
CID 115473872
(1S,3aS,8bS)-6-bromo-3-methyl-8b-prop-2-enyl-1-trimethylsilyl-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-2-one
CID 23624954

Frequently Asked Questions

What is the IUPAC name of (8S)-2-chloro-8-ethyl-5-methyl-5-prop-2-enyl-6,8-dihydro-1,6-naphthyridin-7-one?
The IUPAC name of (8S)-2-chloro-8-ethyl-5-methyl-5-prop-2-enyl-6,8-dihydro-1,6-naphthyridin-7-one (CID 170254757) is (8S)-2-chloro-8-ethyl-5-methyl-5-prop-2-enyl-6,8-dihydro-1,6-naphthyridin-7-one.
What is the SMILES notation for (8S)-2-chloro-8-ethyl-5-methyl-5-prop-2-enyl-6,8-dihydro-1,6-naphthyridin-7-one?
The canonical SMILES for (8S)-2-chloro-8-ethyl-5-methyl-5-prop-2-enyl-6,8-dihydro-1,6-naphthyridin-7-one is C=CCC1(C)NC(=O)[C@@H](CC)c2nc(Cl)ccc21.
What is the InChIKey of (8S)-2-chloro-8-ethyl-5-methyl-5-prop-2-enyl-6,8-dihydro-1,6-naphthyridin-7-one?
The InChIKey is NJYWOWWEBBSHBV-CUVJYRNJSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-4-8-14(3)10-6-7-11(15)16-12(10)9(5-2)13(18)17-14/h4,6-7,9H,1,5,8H2,2-3H3,(H,17,18)/t9-,14?/m0/s1.
What are the key properties of (8S)-2-chloro-8-ethyl-5-methyl-5-prop-2-enyl-6,8-dihydro-1,6-naphthyridin-7-one?
(8S)-2-chloro-8-ethyl-5-methyl-5-prop-2-enyl-6,8-dihydro-1,6-naphthyridin-7-one has a molecular weight of 264.76 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-2-chloro-8-ethyl-5-methyl-5-prop-2-enyl-6,8-dihydro-1,6-naphthyridin-7-one is sourced from PubChem (CID 170254757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).