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

C22H19N5O2 — CID 3725042

IUPAC2-[(4,7-dimethylquinazolin-2-yl)amino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccc2c(C)nc(Nc3ncc4c(n3)CC(c3ccco3)CC4=O)nc2c1
InChIInChI=1S/C22H19N5O2/c1-12-5-6-15-13(2)24-22(26-17(15)8-12)27-21-23-11-16-18(25-21)9-14(10-19(16)28)20-4-3-7-29-20/h3-8,11,14H,9-10H2,1-2H3,(H,23,24,25,26,27)
InChIKeyUYIDEMXOMBUFSO-UHFFFAOYSA-N
MW385.43 g/mol
LogP4.29
Rot. Bonds3

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

2-[(4,7-dimethylquinazolin-2-yl)amino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 3725042) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 2-[(4,7-dimethylquinazolin-2-yl)amino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-[(4,7-dimethylquinazolin-2-yl)amino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID3725042
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name2-[(4,7-dimethylquinazolin-2-yl)amino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccc2c(C)nc(Nc3ncc4c(n3)CC(c3ccco3)CC4=O)nc2c1
InChIInChI=1S/C22H19N5O2/c1-12-5-6-15-13(2)24-22(26-17(15)8-12)27-21-23-11-16-18(25-21)9-14(10-19(16)28)20-4-3-7-29-20/h3-8,11,14H,9-10H2,1-2H3,(H,23,24,25,26,27)
InChIKeyUYIDEMXOMBUFSO-UHFFFAOYSA-N
XLogP4.29
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(4,7-dimethylquinazolin-2-yl)amino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,7-dimethylquinazolin-2-yl)amino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-[(4,7-dimethylquinazolin-2-yl)amino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one (CID 3725042) is 2-[(4,7-dimethylquinazolin-2-yl)amino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-[(4,7-dimethylquinazolin-2-yl)amino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-[(4,7-dimethylquinazolin-2-yl)amino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one is Cc1ccc2c(C)nc(Nc3ncc4c(n3)CC(c3ccco3)CC4=O)nc2c1.
What is the InChIKey of 2-[(4,7-dimethylquinazolin-2-yl)amino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is UYIDEMXOMBUFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-12-5-6-15-13(2)24-22(26-17(15)8-12)27-21-23-11-16-18(25-21)9-14(10-19(16)28)20-4-3-7-29-20/h3-8,11,14H,9-10H2,1-2H3,(H,23,24,25,26,27).
What are the key properties of 2-[(4,7-dimethylquinazolin-2-yl)amino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one?
2-[(4,7-dimethylquinazolin-2-yl)amino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 385.43 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,7-dimethylquinazolin-2-yl)amino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 3725042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).