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

C19H14ClN3O3 — CID 664438

IUPAC4-chloro-N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide
SMILESO=C(Nc1ncc2c(n1)CC(c1ccco1)CC2=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H14ClN3O3/c20-13-5-3-11(4-6-13)18(25)23-19-21-10-14-15(22-19)8-12(9-16(14)24)17-2-1-7-26-17/h1-7,10,12H,8-9H2,(H,21,22,23,25)
InChIKeyXKXHFVMQJWWIPG-UHFFFAOYSA-N
MW367.79 g/mol
LogP3.89
Rot. Bonds3

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

4-chloro-N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide (PubChem CID 664438) has the molecular formula C19H14ClN3O3 and a molecular weight of 367.79 g/mol. Its IUPAC name is 4-chloro-N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide
PubChem CID664438
Molecular FormulaC19H14ClN3O3
Molecular Weight367.79 g/mol
Exact Mass367.07
IUPAC Name4-chloro-N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide
SMILESO=C(Nc1ncc2c(n1)CC(c1ccco1)CC2=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H14ClN3O3/c20-13-5-3-11(4-6-13)18(25)23-19-21-10-14-15(22-19)8-12(9-16(14)24)17-2-1-7-26-17/h1-7,10,12H,8-9H2,(H,21,22,23,25)
InChIKeyXKXHFVMQJWWIPG-UHFFFAOYSA-N
XLogP3.89
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.79
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide (CID 664438) is 4-chloro-N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide is O=C(Nc1ncc2c(n1)CC(c1ccco1)CC2=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide?
The InChIKey is XKXHFVMQJWWIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O3/c20-13-5-3-11(4-6-13)18(25)23-19-21-10-14-15(22-19)8-12(9-16(14)24)17-2-1-7-26-17/h1-7,10,12H,8-9H2,(H,21,22,23,25).
What are the key properties of 4-chloro-N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide?
4-chloro-N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide has a molecular weight of 367.79 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide is sourced from PubChem (CID 664438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).