2-(4-chlorophenyl)-8-methylsulfonyl-5,6-dihydropyrimido[4,5-f]quinazoline

C17H13ClN4O2S — CID 57251224

IUPAC2-(4-chlorophenyl)-8-methylsulfonyl-5,6-dihydropyrimido[4,5-f]quinazoline
SMILESCS(=O)(=O)c1ncc2c(n1)CCc1cnc(-c3ccc(Cl)cc3)nc1-2
InChIInChI=1S/C17H13ClN4O2S/c1-25(23,24)17-20-9-13-14(21-17)7-4-11-8-19-16(22-15(11)13)10-2-5-12(18)6-3-10/h2-3,5-6,8-9H,4,7H2,1H3
InChIKeyVQNLBVNVTMIACN-UHFFFAOYSA-N
MW372.84 g/mol
LogP2.76
Rot. Bonds2

About 2-(4-chlorophenyl)-8-methylsulfonyl-5,6-dihydropyrimido[4,5-f]quinazoline

2-(4-chlorophenyl)-8-methylsulfonyl-5,6-dihydropyrimido[4,5-f]quinazoline (PubChem CID 57251224) has the molecular formula C17H13ClN4O2S and a molecular weight of 372.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-8-methylsulfonyl-5,6-dihydropyrimido[4,5-f]quinazoline.

Molecular Properties

Compound Name2-(4-chlorophenyl)-8-methylsulfonyl-5,6-dihydropyrimido[4,5-f]quinazoline
PubChem CID57251224
Molecular FormulaC17H13ClN4O2S
Molecular Weight372.84 g/mol
Exact Mass372.04
IUPAC Name2-(4-chlorophenyl)-8-methylsulfonyl-5,6-dihydropyrimido[4,5-f]quinazoline
SMILESCS(=O)(=O)c1ncc2c(n1)CCc1cnc(-c3ccc(Cl)cc3)nc1-2
InChIInChI=1S/C17H13ClN4O2S/c1-25(23,24)17-20-9-13-14(21-17)7-4-11-8-19-16(22-15(11)13)10-2-5-12(18)6-3-10/h2-3,5-6,8-9H,4,7H2,1H3
InChIKeyVQNLBVNVTMIACN-UHFFFAOYSA-N
XLogP2.76
TPSA85.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.84
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-8-methylsulfonyl-5,6-dihydropyrimido[4,5-f]quinazoline?
The IUPAC name of 2-(4-chlorophenyl)-8-methylsulfonyl-5,6-dihydropyrimido[4,5-f]quinazoline (CID 57251224) is 2-(4-chlorophenyl)-8-methylsulfonyl-5,6-dihydropyrimido[4,5-f]quinazoline.
What is the SMILES notation for 2-(4-chlorophenyl)-8-methylsulfonyl-5,6-dihydropyrimido[4,5-f]quinazoline?
The canonical SMILES for 2-(4-chlorophenyl)-8-methylsulfonyl-5,6-dihydropyrimido[4,5-f]quinazoline is CS(=O)(=O)c1ncc2c(n1)CCc1cnc(-c3ccc(Cl)cc3)nc1-2.
What is the InChIKey of 2-(4-chlorophenyl)-8-methylsulfonyl-5,6-dihydropyrimido[4,5-f]quinazoline?
The InChIKey is VQNLBVNVTMIACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O2S/c1-25(23,24)17-20-9-13-14(21-17)7-4-11-8-19-16(22-15(11)13)10-2-5-12(18)6-3-10/h2-3,5-6,8-9H,4,7H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-8-methylsulfonyl-5,6-dihydropyrimido[4,5-f]quinazoline?
2-(4-chlorophenyl)-8-methylsulfonyl-5,6-dihydropyrimido[4,5-f]quinazoline has a molecular weight of 372.84 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-8-methylsulfonyl-5,6-dihydropyrimido[4,5-f]quinazoline is sourced from PubChem (CID 57251224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).