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

C17H15N5O — CID 662203

IUPAC2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(Nc2ncc3c(n2)CCCC3=O)nc2ccccc12
InChIInChI=1S/C17H15N5O/c1-10-11-5-2-3-6-13(11)21-17(19-10)22-16-18-9-12-14(20-16)7-4-8-15(12)23/h2-3,5-6,9H,4,7-8H2,1H3,(H,18,19,20,21,22)
InChIKeyJAPWLSFZKDQRTR-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.99
Rot. Bonds2

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

2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 662203) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one
PubChem CID662203
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(Nc2ncc3c(n2)CCCC3=O)nc2ccccc12
InChIInChI=1S/C17H15N5O/c1-10-11-5-2-3-6-13(11)21-17(19-10)22-16-18-9-12-14(20-16)7-4-8-15(12)23/h2-3,5-6,9H,4,7-8H2,1H3,(H,18,19,20,21,22)
InChIKeyJAPWLSFZKDQRTR-UHFFFAOYSA-N
XLogP2.99
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one (CID 662203) is 2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one is Cc1nc(Nc2ncc3c(n2)CCCC3=O)nc2ccccc12.
What is the InChIKey of 2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is JAPWLSFZKDQRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-10-11-5-2-3-6-13(11)21-17(19-10)22-16-18-9-12-14(20-16)7-4-8-15(12)23/h2-3,5-6,9H,4,7-8H2,1H3,(H,18,19,20,21,22).
What are the key properties of 2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one?
2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 305.34 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 662203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).