N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-4-methoxybenzamide

C20H17N3O4 — CID 664252

IUPACN-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ncc3c(n2)CC(c2ccco2)CC3=O)cc1
InChIInChI=1S/C20H17N3O4/c1-26-14-6-4-12(5-7-14)19(25)23-20-21-11-15-16(22-20)9-13(10-17(15)24)18-3-2-8-27-18/h2-8,11,13H,9-10H2,1H3,(H,21,22,23,25)
InChIKeyQBYFNVYQDUFQRC-UHFFFAOYSA-N
MW363.37 g/mol
LogP3.24
Rot. Bonds4

About N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-4-methoxybenzamide

N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-4-methoxybenzamide (PubChem CID 664252) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-4-methoxybenzamide
PubChem CID664252
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC NameN-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ncc3c(n2)CC(c2ccco2)CC3=O)cc1
InChIInChI=1S/C20H17N3O4/c1-26-14-6-4-12(5-7-14)19(25)23-20-21-11-15-16(22-20)9-13(10-17(15)24)18-3-2-8-27-18/h2-8,11,13H,9-10H2,1H3,(H,21,22,23,25)
InChIKeyQBYFNVYQDUFQRC-UHFFFAOYSA-N
XLogP3.24
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-4-methoxybenzamide?
The IUPAC name of N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-4-methoxybenzamide (CID 664252) is N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-4-methoxybenzamide?
The canonical SMILES for N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ncc3c(n2)CC(c2ccco2)CC3=O)cc1.
What is the InChIKey of N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-4-methoxybenzamide?
The InChIKey is QBYFNVYQDUFQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-26-14-6-4-12(5-7-14)19(25)23-20-21-11-15-16(22-20)9-13(10-17(15)24)18-3-2-8-27-18/h2-8,11,13H,9-10H2,1H3,(H,21,22,23,25).
What are the key properties of N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-4-methoxybenzamide?
N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-4-methoxybenzamide has a molecular weight of 363.37 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 664252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).