2-amino-6-[(4-chloro-2-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C17H15ClN4O3 — CID 135862637

IUPAC2-amino-6-[(4-chloro-2-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESNc1nc2c(c(=O)[nH]1)CN(Cc1c(Cl)c3ccccc3oc1=O)CC2
InChIInChI=1S/C17H15ClN4O3/c18-14-9-3-1-2-4-13(9)25-16(24)11(14)8-22-6-5-12-10(7-22)15(23)21-17(19)20-12/h1-4H,5-8H2,(H3,19,20,21,23)
InChIKeyXUZPJGVXRCNWIM-UHFFFAOYSA-N
MW358.79 g/mol
LogP1.67
Rot. Bonds2

About 2-amino-6-[(4-chloro-2-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-amino-6-[(4-chloro-2-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135862637) has the molecular formula C17H15ClN4O3 and a molecular weight of 358.79 g/mol. Its IUPAC name is 2-amino-6-[(4-chloro-2-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-[(4-chloro-2-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135862637
Molecular FormulaC17H15ClN4O3
Molecular Weight358.79 g/mol
Exact Mass358.08
IUPAC Name2-amino-6-[(4-chloro-2-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESNc1nc2c(c(=O)[nH]1)CN(Cc1c(Cl)c3ccccc3oc1=O)CC2
InChIInChI=1S/C17H15ClN4O3/c18-14-9-3-1-2-4-13(9)25-16(24)11(14)8-22-6-5-12-10(7-22)15(23)21-17(19)20-12/h1-4H,5-8H2,(H3,19,20,21,23)
InChIKeyXUZPJGVXRCNWIM-UHFFFAOYSA-N
XLogP1.67
TPSA105.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-amino-6-[(4-chloro-2-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-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 2-amino-6-[(4-chloro-2-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-6-[(4-chloro-2-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135862637) is 2-amino-6-[(4-chloro-2-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-[(4-chloro-2-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-6-[(4-chloro-2-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Nc1nc2c(c(=O)[nH]1)CN(Cc1c(Cl)c3ccccc3oc1=O)CC2.
What is the InChIKey of 2-amino-6-[(4-chloro-2-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is XUZPJGVXRCNWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3/c18-14-9-3-1-2-4-13(9)25-16(24)11(14)8-22-6-5-12-10(7-22)15(23)21-17(19)20-12/h1-4H,5-8H2,(H3,19,20,21,23).
What are the key properties of 2-amino-6-[(4-chloro-2-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-amino-6-[(4-chloro-2-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 358.79 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(4-chloro-2-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135862637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).