2-(furan-2-ylmethylamino)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one

C15H17N3O2 — CID 2979657

IUPAC2-(furan-2-ylmethylamino)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(NCc2ccco2)nc2c1C(=O)CC(C)C2
InChIInChI=1S/C15H17N3O2/c1-9-6-12-14(13(19)7-9)10(2)17-15(18-12)16-8-11-4-3-5-20-11/h3-5,9H,6-8H2,1-2H3,(H,16,17,18)
InChIKeyVRCGKXHJRXWIKQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.76
Rot. Bonds3

About 2-(furan-2-ylmethylamino)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one

2-(furan-2-ylmethylamino)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 2979657) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(furan-2-ylmethylamino)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(furan-2-ylmethylamino)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID2979657
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-(furan-2-ylmethylamino)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(NCc2ccco2)nc2c1C(=O)CC(C)C2
InChIInChI=1S/C15H17N3O2/c1-9-6-12-14(13(19)7-9)10(2)17-15(18-12)16-8-11-4-3-5-20-11/h3-5,9H,6-8H2,1-2H3,(H,16,17,18)
InChIKeyVRCGKXHJRXWIKQ-UHFFFAOYSA-N
XLogP2.76
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylamino)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(furan-2-ylmethylamino)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one (CID 2979657) is 2-(furan-2-ylmethylamino)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(furan-2-ylmethylamino)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(furan-2-ylmethylamino)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one is Cc1nc(NCc2ccco2)nc2c1C(=O)CC(C)C2.
What is the InChIKey of 2-(furan-2-ylmethylamino)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is VRCGKXHJRXWIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-9-6-12-14(13(19)7-9)10(2)17-15(18-12)16-8-11-4-3-5-20-11/h3-5,9H,6-8H2,1-2H3,(H,16,17,18).
What are the key properties of 2-(furan-2-ylmethylamino)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one?
2-(furan-2-ylmethylamino)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 271.32 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylamino)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 2979657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).