4-chloro-2-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-one

C9H11ClN2O — CID 105451850

IUPAC4-chloro-2-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-one
SMILESCn1cc2c(c(Cl)c1=O)CCNC2
InChIInChI=1S/C9H11ClN2O/c1-12-5-6-4-11-3-2-7(6)8(10)9(12)13/h5,11H,2-4H2,1H3
InChIKeyACZYEOPTMQXVRZ-UHFFFAOYSA-N
MW198.65 g/mol
LogP0.68
Rot. Bonds

About 4-chloro-2-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-one

4-chloro-2-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-one (PubChem CID 105451850) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 4-chloro-2-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-one
PubChem CID105451850
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name4-chloro-2-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-one
SMILESCn1cc2c(c(Cl)c1=O)CCNC2
InChIInChI=1S/C9H11ClN2O/c1-12-5-6-4-11-3-2-7(6)8(10)9(12)13/h5,11H,2-4H2,1H3
InChIKeyACZYEOPTMQXVRZ-UHFFFAOYSA-N
XLogP0.68
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-one?
The IUPAC name of 4-chloro-2-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-one (CID 105451850) is 4-chloro-2-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-one is Cn1cc2c(c(Cl)c1=O)CCNC2.
What is the InChIKey of 4-chloro-2-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-one?
The InChIKey is ACZYEOPTMQXVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c1-12-5-6-4-11-3-2-7(6)8(10)9(12)13/h5,11H,2-4H2,1H3.
What are the key properties of 4-chloro-2-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-one?
4-chloro-2-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-one has a molecular weight of 198.65 g/mol, XLogP of 0.68, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-one is sourced from PubChem (CID 105451850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).