6-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C19H19ClN4O2S — CID 24911858

IUPAC6-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1ccc2nc(Cl)c(CN3CCc4nc(S(C)(=O)=O)ncc4C3)cc2c1
InChIInChI=1S/C19H19ClN4O2S/c1-12-3-4-16-13(7-12)8-14(18(20)22-16)10-24-6-5-17-15(11-24)9-21-19(23-17)27(2,25)26/h3-4,7-9H,5-6,10-11H2,1-2H3
InChIKeyMPBCOGZTVDNOII-UHFFFAOYSA-N
MW402.91 g/mol
LogP2.95
Rot. Bonds3

About 6-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24911858) has the molecular formula C19H19ClN4O2S and a molecular weight of 402.91 g/mol. Its IUPAC name is 6-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24911858
Molecular FormulaC19H19ClN4O2S
Molecular Weight402.91 g/mol
Exact Mass402.09
IUPAC Name6-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1ccc2nc(Cl)c(CN3CCc4nc(S(C)(=O)=O)ncc4C3)cc2c1
InChIInChI=1S/C19H19ClN4O2S/c1-12-3-4-16-13(7-12)8-14(18(20)22-16)10-24-6-5-17-15(11-24)9-21-19(23-17)27(2,25)26/h3-4,7-9H,5-6,10-11H2,1-2H3
InChIKeyMPBCOGZTVDNOII-UHFFFAOYSA-N
XLogP2.95
TPSA76.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.91
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine 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

6-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911852
6-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911855
6-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911863
6-[(2,6-dichlorophenyl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928892
6-[[6-(4-methylphenyl)-3-pyridinyl]methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914168
6-[(2-chloro-7-methylquinolin-3-yl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911410
6-[(5-methyl-3-pyridinyl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917695
5-(4-methylphenyl)-3-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole
CID 24915218
6-[(2-chloro-7-methylquinolin-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911419
6-[(2-fluoro-3-pyridinyl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913097
6-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912614
2-methylsulfonyl-6-[(5-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24908837

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24911858) is 6-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1ccc2nc(Cl)c(CN3CCc4nc(S(C)(=O)=O)ncc4C3)cc2c1.
What is the InChIKey of 6-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is MPBCOGZTVDNOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2S/c1-12-3-4-16-13(7-12)8-14(18(20)22-16)10-24-6-5-17-15(11-24)9-21-19(23-17)27(2,25)26/h3-4,7-9H,5-6,10-11H2,1-2H3.
What are the key properties of 6-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 402.91 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24911858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).