2-amino-4-(methoxymethyl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one

C16H17N3O2 — CID 69451972

IUPAC2-amino-4-(methoxymethyl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCOCc1nc(N)nc2c1C(=O)CC(c1ccccc1)C2
InChIInChI=1S/C16H17N3O2/c1-21-9-13-15-12(18-16(17)19-13)7-11(8-14(15)20)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H2,17,18,19)
InChIKeyNFOQSFWUEFCCNS-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.12
Rot. Bonds3

About 2-amino-4-(methoxymethyl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one

2-amino-4-(methoxymethyl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 69451972) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-amino-4-(methoxymethyl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-amino-4-(methoxymethyl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID69451972
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-amino-4-(methoxymethyl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCOCc1nc(N)nc2c1C(=O)CC(c1ccccc1)C2
InChIInChI=1S/C16H17N3O2/c1-21-9-13-15-12(18-16(17)19-13)7-11(8-14(15)20)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H2,17,18,19)
InChIKeyNFOQSFWUEFCCNS-UHFFFAOYSA-N
XLogP2.12
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(methoxymethyl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-amino-4-(methoxymethyl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one (CID 69451972) is 2-amino-4-(methoxymethyl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-amino-4-(methoxymethyl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-amino-4-(methoxymethyl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one is COCc1nc(N)nc2c1C(=O)CC(c1ccccc1)C2.
What is the InChIKey of 2-amino-4-(methoxymethyl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is NFOQSFWUEFCCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-21-9-13-15-12(18-16(17)19-13)7-11(8-14(15)20)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H2,17,18,19).
What are the key properties of 2-amino-4-(methoxymethyl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
2-amino-4-(methoxymethyl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 283.33 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(methoxymethyl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 69451972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).