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

C20H17N3O3 — CID 663468

IUPACN-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ncc3c(n2)CC(c2ccco2)CC3=O)cc1
InChIInChI=1S/C20H17N3O3/c1-12-4-6-13(7-5-12)19(25)23-20-21-11-15-16(22-20)9-14(10-17(15)24)18-3-2-8-26-18/h2-8,11,14H,9-10H2,1H3,(H,21,22,23,25)
InChIKeyCBFAKVBYSPKEBR-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.54
Rot. Bonds3

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

N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-4-methylbenzamide (PubChem CID 663468) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-4-methylbenzamide
PubChem CID663468
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC NameN-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ncc3c(n2)CC(c2ccco2)CC3=O)cc1
InChIInChI=1S/C20H17N3O3/c1-12-4-6-13(7-5-12)19(25)23-20-21-11-15-16(22-20)9-14(10-17(15)24)18-3-2-8-26-18/h2-8,11,14H,9-10H2,1H3,(H,21,22,23,25)
InChIKeyCBFAKVBYSPKEBR-UHFFFAOYSA-N
XLogP3.54
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-methylbenzamide?
The IUPAC name of N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-4-methylbenzamide (CID 663468) is N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-4-methylbenzamide.
What is the SMILES notation for N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-4-methylbenzamide?
The canonical SMILES for N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-4-methylbenzamide is Cc1ccc(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-methylbenzamide?
The InChIKey is CBFAKVBYSPKEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-12-4-6-13(7-5-12)19(25)23-20-21-11-15-16(22-20)9-14(10-17(15)24)18-3-2-8-26-18/h2-8,11,14H,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-methylbenzamide?
N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-4-methylbenzamide has a molecular weight of 347.37 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 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-methylbenzamide is sourced from PubChem (CID 663468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).