9-chloro-3-(1-hydroxynaphthalene-2-carbonyl)chromeno[4,3-b]pyridin-5-one

C23H12ClNO4 — CID 142741657

IUPAC9-chloro-3-(1-hydroxynaphthalene-2-carbonyl)chromeno[4,3-b]pyridin-5-one
SMILESO=C(c1cnc2c(c1)c(=O)oc1ccc(Cl)cc12)c1ccc2ccccc2c1O
InChIInChI=1S/C23H12ClNO4/c24-14-6-8-19-17(10-14)20-18(23(28)29-19)9-13(11-25-20)21(26)16-7-5-12-3-1-2-4-15(12)22(16)27/h1-11,27H
InChIKeyPADGHJDRSIZXAE-UHFFFAOYSA-N
MW401.81 g/mol
LogP5.08
Rot. Bonds2

About 9-chloro-3-(1-hydroxynaphthalene-2-carbonyl)chromeno[4,3-b]pyridin-5-one

9-chloro-3-(1-hydroxynaphthalene-2-carbonyl)chromeno[4,3-b]pyridin-5-one (PubChem CID 142741657) has the molecular formula C23H12ClNO4 and a molecular weight of 401.81 g/mol. Its IUPAC name is 9-chloro-3-(1-hydroxynaphthalene-2-carbonyl)chromeno[4,3-b]pyridin-5-one.

Molecular Properties

Compound Name9-chloro-3-(1-hydroxynaphthalene-2-carbonyl)chromeno[4,3-b]pyridin-5-one
PubChem CID142741657
Molecular FormulaC23H12ClNO4
Molecular Weight401.81 g/mol
Exact Mass401.05
IUPAC Name9-chloro-3-(1-hydroxynaphthalene-2-carbonyl)chromeno[4,3-b]pyridin-5-one
SMILESO=C(c1cnc2c(c1)c(=O)oc1ccc(Cl)cc12)c1ccc2ccccc2c1O
InChIInChI=1S/C23H12ClNO4/c24-14-6-8-19-17(10-14)20-18(23(28)29-19)9-13(11-25-20)21(26)16-7-5-12-3-1-2-4-15(12)22(16)27/h1-11,27H
InChIKeyPADGHJDRSIZXAE-UHFFFAOYSA-N
XLogP5.08
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.81
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-chloro-3-(1-hydroxynaphthalene-2-carbonyl)chromeno[4,3-b]pyridin-5-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 9-chloro-3-(1-hydroxynaphthalene-2-carbonyl)chromeno[4,3-b]pyridin-5-one?
The IUPAC name of 9-chloro-3-(1-hydroxynaphthalene-2-carbonyl)chromeno[4,3-b]pyridin-5-one (CID 142741657) is 9-chloro-3-(1-hydroxynaphthalene-2-carbonyl)chromeno[4,3-b]pyridin-5-one.
What is the SMILES notation for 9-chloro-3-(1-hydroxynaphthalene-2-carbonyl)chromeno[4,3-b]pyridin-5-one?
The canonical SMILES for 9-chloro-3-(1-hydroxynaphthalene-2-carbonyl)chromeno[4,3-b]pyridin-5-one is O=C(c1cnc2c(c1)c(=O)oc1ccc(Cl)cc12)c1ccc2ccccc2c1O.
What is the InChIKey of 9-chloro-3-(1-hydroxynaphthalene-2-carbonyl)chromeno[4,3-b]pyridin-5-one?
The InChIKey is PADGHJDRSIZXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12ClNO4/c24-14-6-8-19-17(10-14)20-18(23(28)29-19)9-13(11-25-20)21(26)16-7-5-12-3-1-2-4-15(12)22(16)27/h1-11,27H.
What are the key properties of 9-chloro-3-(1-hydroxynaphthalene-2-carbonyl)chromeno[4,3-b]pyridin-5-one?
9-chloro-3-(1-hydroxynaphthalene-2-carbonyl)chromeno[4,3-b]pyridin-5-one has a molecular weight of 401.81 g/mol, XLogP of 5.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-3-(1-hydroxynaphthalene-2-carbonyl)chromeno[4,3-b]pyridin-5-one is sourced from PubChem (CID 142741657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).