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

C18H17ClN4O3 — CID 135862737

IUPAC2-amino-6-[(6-chloro-7-methyl-4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1cc2occ(CN3CCc4nc(N)[nH]c(=O)c4C3)c(=O)c2cc1Cl
InChIInChI=1S/C18H17ClN4O3/c1-9-4-15-11(5-13(9)19)16(24)10(8-26-15)6-23-3-2-14-12(7-23)17(25)22-18(20)21-14/h4-5,8H,2-3,6-7H2,1H3,(H3,20,21,22,25)
InChIKeyZKGOROMITVYITP-UHFFFAOYSA-N
MW372.81 g/mol
LogP1.98
Rot. Bonds2

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

2-amino-6-[(6-chloro-7-methyl-4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135862737) has the molecular formula C18H17ClN4O3 and a molecular weight of 372.81 g/mol. Its IUPAC name is 2-amino-6-[(6-chloro-7-methyl-4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-[(6-chloro-7-methyl-4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135862737
Molecular FormulaC18H17ClN4O3
Molecular Weight372.81 g/mol
Exact Mass372.10
IUPAC Name2-amino-6-[(6-chloro-7-methyl-4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1cc2occ(CN3CCc4nc(N)[nH]c(=O)c4C3)c(=O)c2cc1Cl
InChIInChI=1S/C18H17ClN4O3/c1-9-4-15-11(5-13(9)19)16(24)10(8-26-15)6-23-3-2-14-12(7-23)17(25)22-18(20)21-14/h4-5,8H,2-3,6-7H2,1H3,(H3,20,21,22,25)
InChIKeyZKGOROMITVYITP-UHFFFAOYSA-N
XLogP1.98
TPSA105.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-6-[(6-chloro-7-methyl-4-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

Related Compounds

2-amino-6-[(6-nitro-4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942147
2-amino-6-[(4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861400
2-(4-chlorophenyl)-6-[(6-methyl-4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862208
2-amino-6-[(3-chloro-5-fluoro-2-hydroxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918790
6-[(6-methyl-4-oxochromen-3-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862203
2-(4-aminophenyl)-6-[(6-bromo-4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862725
2-methylsulfanyl-6-[(6-nitro-4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942140
6-[(5,7-dimethyl-4-oxochromen-3-yl)methyl]-2-methylsulfanyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861750
2-amino-6-[(3-chloro-2-fluorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918610
2-amino-6-[(2,6-dichlorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917253
2-cyclopropyl-6-[(6-nitro-4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942154
2-amino-6-[(5-methylthiophen-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861180

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(6-chloro-7-methyl-4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-6-[(6-chloro-7-methyl-4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135862737) is 2-amino-6-[(6-chloro-7-methyl-4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-[(6-chloro-7-methyl-4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-6-[(6-chloro-7-methyl-4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1cc2occ(CN3CCc4nc(N)[nH]c(=O)c4C3)c(=O)c2cc1Cl.
What is the InChIKey of 2-amino-6-[(6-chloro-7-methyl-4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is ZKGOROMITVYITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3/c1-9-4-15-11(5-13(9)19)16(24)10(8-26-15)6-23-3-2-14-12(7-23)17(25)22-18(20)21-14/h4-5,8H,2-3,6-7H2,1H3,(H3,20,21,22,25).
What are the key properties of 2-amino-6-[(6-chloro-7-methyl-4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-amino-6-[(6-chloro-7-methyl-4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 372.81 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(6-chloro-7-methyl-4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135862737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).