5-(3-chloro-2-methylphenyl)-2H-2,7-naphthyridin-1-one

C15H11ClN2O — CID 167839642

IUPAC5-(3-chloro-2-methylphenyl)-2H-2,7-naphthyridin-1-one
SMILESCc1c(Cl)cccc1-c1cncc2c(=O)[nH]ccc12
InChIInChI=1S/C15H11ClN2O/c1-9-10(3-2-4-14(9)16)12-7-17-8-13-11(12)5-6-18-15(13)19/h2-8H,1H3,(H,18,19)
InChIKeyLQVLSJBRQIODIC-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.55
Rot. Bonds1

About 5-(3-chloro-2-methylphenyl)-2H-2,7-naphthyridin-1-one

5-(3-chloro-2-methylphenyl)-2H-2,7-naphthyridin-1-one (PubChem CID 167839642) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is 5-(3-chloro-2-methylphenyl)-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name5-(3-chloro-2-methylphenyl)-2H-2,7-naphthyridin-1-one
PubChem CID167839642
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name5-(3-chloro-2-methylphenyl)-2H-2,7-naphthyridin-1-one
SMILESCc1c(Cl)cccc1-c1cncc2c(=O)[nH]ccc12
InChIInChI=1S/C15H11ClN2O/c1-9-10(3-2-4-14(9)16)12-7-17-8-13-11(12)5-6-18-15(13)19/h2-8H,1H3,(H,18,19)
InChIKeyLQVLSJBRQIODIC-UHFFFAOYSA-N
XLogP3.55
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-methylphenyl)-2H-2,7-naphthyridin-1-one?
The IUPAC name of 5-(3-chloro-2-methylphenyl)-2H-2,7-naphthyridin-1-one (CID 167839642) is 5-(3-chloro-2-methylphenyl)-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 5-(3-chloro-2-methylphenyl)-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 5-(3-chloro-2-methylphenyl)-2H-2,7-naphthyridin-1-one is Cc1c(Cl)cccc1-c1cncc2c(=O)[nH]ccc12.
What is the InChIKey of 5-(3-chloro-2-methylphenyl)-2H-2,7-naphthyridin-1-one?
The InChIKey is LQVLSJBRQIODIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c1-9-10(3-2-4-14(9)16)12-7-17-8-13-11(12)5-6-18-15(13)19/h2-8H,1H3,(H,18,19).
What are the key properties of 5-(3-chloro-2-methylphenyl)-2H-2,7-naphthyridin-1-one?
5-(3-chloro-2-methylphenyl)-2H-2,7-naphthyridin-1-one has a molecular weight of 270.72 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-methylphenyl)-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 167839642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).