4-(diethylamino)-N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide

C25H23FN4O2 — CID 23766664

IUPAC4-(diethylamino)-N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide
SMILESCCN(CC)c1ccc(C(=O)Nn2c(-c3ccc(F)cc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C25H23FN4O2/c1-3-29(4-2)20-15-11-18(12-16-20)24(31)28-30-23(17-9-13-19(26)14-10-17)27-22-8-6-5-7-21(22)25(30)32/h5-16H,3-4H2,1-2H3,(H,28,31)
InChIKeyDUTBJEAEXUOKER-UHFFFAOYSA-N
MW430.48 g/mol
LogP4.43
Rot. Bonds6

About 4-(diethylamino)-N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide

4-(diethylamino)-N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide (PubChem CID 23766664) has the molecular formula C25H23FN4O2 and a molecular weight of 430.48 g/mol. Its IUPAC name is 4-(diethylamino)-N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide.

Molecular Properties

Compound Name4-(diethylamino)-N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide
PubChem CID23766664
Molecular FormulaC25H23FN4O2
Molecular Weight430.48 g/mol
Exact Mass430.18
IUPAC Name4-(diethylamino)-N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide
SMILESCCN(CC)c1ccc(C(=O)Nn2c(-c3ccc(F)cc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C25H23FN4O2/c1-3-29(4-2)20-15-11-18(12-16-20)24(31)28-30-23(17-9-13-19(26)14-10-17)27-22-8-6-5-7-21(22)25(30)32/h5-16H,3-4H2,1-2H3,(H,28,31)
InChIKeyDUTBJEAEXUOKER-UHFFFAOYSA-N
XLogP4.43
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide
CID 23932693
4-(diethylamino)-N-[2-(3,5-dimethoxyphenyl)-4-oxoquinazolin-3-yl]benzamide
CID 6737747
N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-4-(diethylamino)benzamide
CID 23791833
4-butyl-N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide
CID 23824051
N-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]-4-ethylbenzamide
CID 23740001
4-bromo-N-[2-(4-tert-butylphenyl)-4-oxoquinazolin-3-yl]benzamide
CID 23968802
N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]-2,3-dimethoxybenzamide
CID 23847600
N-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]benzamide
CID 170732468
4-methoxy-N-(4-oxo-2-pyridin-4-ylquinazolin-3-yl)benzamide
CID 23797785
N-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 807598
3-(benzylamino)-2-(4-fluorophenyl)quinazolin-4-one
CID 3389245
4-[(4-bromophenyl)carbamothioylamino]-N-(4-oxo-2-phenylquinazolin-3-yl)benzamide
CID 10437995

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide?
The IUPAC name of 4-(diethylamino)-N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide (CID 23766664) is 4-(diethylamino)-N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide.
What is the SMILES notation for 4-(diethylamino)-N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide?
The canonical SMILES for 4-(diethylamino)-N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide is CCN(CC)c1ccc(C(=O)Nn2c(-c3ccc(F)cc3)nc3ccccc3c2=O)cc1.
What is the InChIKey of 4-(diethylamino)-N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide?
The InChIKey is DUTBJEAEXUOKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2/c1-3-29(4-2)20-15-11-18(12-16-20)24(31)28-30-23(17-9-13-19(26)14-10-17)27-22-8-6-5-7-21(22)25(30)32/h5-16H,3-4H2,1-2H3,(H,28,31).
What are the key properties of 4-(diethylamino)-N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide?
4-(diethylamino)-N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide has a molecular weight of 430.48 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide is sourced from PubChem (CID 23766664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).