2-[(4-methylquinazolin-2-yl)amino]-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one

C21H17N5OS — CID 16584542

IUPAC2-[(4-methylquinazolin-2-yl)amino]-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(Nc2ncc3c(n2)CC(c2cccs2)CC3=O)nc2ccccc12
InChIInChI=1S/C21H17N5OS/c1-12-14-5-2-3-6-16(14)24-21(23-12)26-20-22-11-15-17(25-20)9-13(10-18(15)27)19-7-4-8-28-19/h2-8,11,13H,9-10H2,1H3,(H,22,23,24,25,26)
InChIKeySKVFPLKTEMWGDA-UHFFFAOYSA-N
MW387.47 g/mol
LogP4.45
Rot. Bonds3

About 2-[(4-methylquinazolin-2-yl)amino]-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one

2-[(4-methylquinazolin-2-yl)amino]-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 16584542) has the molecular formula C21H17N5OS and a molecular weight of 387.47 g/mol. Its IUPAC name is 2-[(4-methylquinazolin-2-yl)amino]-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-[(4-methylquinazolin-2-yl)amino]-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID16584542
Molecular FormulaC21H17N5OS
Molecular Weight387.47 g/mol
Exact Mass387.12
IUPAC Name2-[(4-methylquinazolin-2-yl)amino]-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(Nc2ncc3c(n2)CC(c2cccs2)CC3=O)nc2ccccc12
InChIInChI=1S/C21H17N5OS/c1-12-14-5-2-3-6-16(14)24-21(23-12)26-20-22-11-15-17(25-20)9-13(10-18(15)27)19-7-4-8-28-19/h2-8,11,13H,9-10H2,1H3,(H,22,23,24,25,26)
InChIKeySKVFPLKTEMWGDA-UHFFFAOYSA-N
XLogP4.45
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylquinazolin-2-yl)amino]-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-[(4-methylquinazolin-2-yl)amino]-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one (CID 16584542) is 2-[(4-methylquinazolin-2-yl)amino]-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-[(4-methylquinazolin-2-yl)amino]-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-[(4-methylquinazolin-2-yl)amino]-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one is Cc1nc(Nc2ncc3c(n2)CC(c2cccs2)CC3=O)nc2ccccc12.
What is the InChIKey of 2-[(4-methylquinazolin-2-yl)amino]-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is SKVFPLKTEMWGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5OS/c1-12-14-5-2-3-6-16(14)24-21(23-12)26-20-22-11-15-17(25-20)9-13(10-18(15)27)19-7-4-8-28-19/h2-8,11,13H,9-10H2,1H3,(H,22,23,24,25,26).
What are the key properties of 2-[(4-methylquinazolin-2-yl)amino]-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one?
2-[(4-methylquinazolin-2-yl)amino]-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 387.47 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylquinazolin-2-yl)amino]-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 16584542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).