(6S)-5-acetyl-8-anilino-6,7-dimethyl-1,6,7,8-tetrahydro-1,5-naphthyridin-2-one

C18H21N3O2 — CID 148858495

IUPAC(6S)-5-acetyl-8-anilino-6,7-dimethyl-1,6,7,8-tetrahydro-1,5-naphthyridin-2-one
SMILESCC(=O)N1c2ccc(=O)[nH]c2C(Nc2ccccc2)C(C)[C@@H]1C
InChIInChI=1S/C18H21N3O2/c1-11-12(2)21(13(3)22)15-9-10-16(23)20-18(15)17(11)19-14-7-5-4-6-8-14/h4-12,17,19H,1-3H3,(H,20,23)/t11?,12-,17?/m0/s1
InChIKeyOYVVWNUIXBUIBX-JKGQDXBKSA-N
MW311.38 g/mol
LogP2.92
Rot. Bonds2

About (6S)-5-acetyl-8-anilino-6,7-dimethyl-1,6,7,8-tetrahydro-1,5-naphthyridin-2-one

(6S)-5-acetyl-8-anilino-6,7-dimethyl-1,6,7,8-tetrahydro-1,5-naphthyridin-2-one (PubChem CID 148858495) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is (6S)-5-acetyl-8-anilino-6,7-dimethyl-1,6,7,8-tetrahydro-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name(6S)-5-acetyl-8-anilino-6,7-dimethyl-1,6,7,8-tetrahydro-1,5-naphthyridin-2-one
PubChem CID148858495
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name(6S)-5-acetyl-8-anilino-6,7-dimethyl-1,6,7,8-tetrahydro-1,5-naphthyridin-2-one
SMILESCC(=O)N1c2ccc(=O)[nH]c2C(Nc2ccccc2)C(C)[C@@H]1C
InChIInChI=1S/C18H21N3O2/c1-11-12(2)21(13(3)22)15-9-10-16(23)20-18(15)17(11)19-14-7-5-4-6-8-14/h4-12,17,19H,1-3H3,(H,20,23)/t11?,12-,17?/m0/s1
InChIKeyOYVVWNUIXBUIBX-JKGQDXBKSA-N
XLogP2.92
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (6S)-5-acetyl-8-anilino-6,7-dimethyl-1,6,7,8-tetrahydro-1,5-naphthyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S)-5-acetyl-8-anilino-6,7-dimethyl-1,6,7,8-tetrahydro-1,5-naphthyridin-2-one?
The IUPAC name of (6S)-5-acetyl-8-anilino-6,7-dimethyl-1,6,7,8-tetrahydro-1,5-naphthyridin-2-one (CID 148858495) is (6S)-5-acetyl-8-anilino-6,7-dimethyl-1,6,7,8-tetrahydro-1,5-naphthyridin-2-one.
What is the SMILES notation for (6S)-5-acetyl-8-anilino-6,7-dimethyl-1,6,7,8-tetrahydro-1,5-naphthyridin-2-one?
The canonical SMILES for (6S)-5-acetyl-8-anilino-6,7-dimethyl-1,6,7,8-tetrahydro-1,5-naphthyridin-2-one is CC(=O)N1c2ccc(=O)[nH]c2C(Nc2ccccc2)C(C)[C@@H]1C.
What is the InChIKey of (6S)-5-acetyl-8-anilino-6,7-dimethyl-1,6,7,8-tetrahydro-1,5-naphthyridin-2-one?
The InChIKey is OYVVWNUIXBUIBX-JKGQDXBKSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-11-12(2)21(13(3)22)15-9-10-16(23)20-18(15)17(11)19-14-7-5-4-6-8-14/h4-12,17,19H,1-3H3,(H,20,23)/t11?,12-,17?/m0/s1.
What are the key properties of (6S)-5-acetyl-8-anilino-6,7-dimethyl-1,6,7,8-tetrahydro-1,5-naphthyridin-2-one?
(6S)-5-acetyl-8-anilino-6,7-dimethyl-1,6,7,8-tetrahydro-1,5-naphthyridin-2-one has a molecular weight of 311.38 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-5-acetyl-8-anilino-6,7-dimethyl-1,6,7,8-tetrahydro-1,5-naphthyridin-2-one is sourced from PubChem (CID 148858495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).