N-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]-4-ethylbenzamide

C23H18ClN3O2 — CID 23740001

IUPACN-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C23H18ClN3O2/c1-2-15-7-9-17(10-8-15)22(28)26-27-21(16-11-13-18(24)14-12-16)25-20-6-4-3-5-19(20)23(27)29/h3-14H,2H2,1H3,(H,26,28)
InChIKeyQRYYDGWRPQZZNA-UHFFFAOYSA-N
MW403.87 g/mol
LogP4.66
Rot. Bonds4

About N-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]-4-ethylbenzamide

N-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]-4-ethylbenzamide (PubChem CID 23740001) has the molecular formula C23H18ClN3O2 and a molecular weight of 403.87 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]-4-ethylbenzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]-4-ethylbenzamide
PubChem CID23740001
Molecular FormulaC23H18ClN3O2
Molecular Weight403.87 g/mol
Exact Mass403.11
IUPAC NameN-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C23H18ClN3O2/c1-2-15-7-9-17(10-8-15)22(28)26-27-21(16-11-13-18(24)14-12-16)25-20-6-4-3-5-19(20)23(27)29/h3-14H,2H2,1H3,(H,26,28)
InChIKeyQRYYDGWRPQZZNA-UHFFFAOYSA-N
XLogP4.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]-4-ethylbenzamide?
The IUPAC name of N-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]-4-ethylbenzamide (CID 23740001) is N-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]-4-ethylbenzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]-4-ethylbenzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]-4-ethylbenzamide is CCc1ccc(C(=O)Nn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]-4-ethylbenzamide?
The InChIKey is QRYYDGWRPQZZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O2/c1-2-15-7-9-17(10-8-15)22(28)26-27-21(16-11-13-18(24)14-12-16)25-20-6-4-3-5-19(20)23(27)29/h3-14H,2H2,1H3,(H,26,28).
What are the key properties of N-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]-4-ethylbenzamide?
N-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]-4-ethylbenzamide has a molecular weight of 403.87 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]-4-ethylbenzamide is sourced from PubChem (CID 23740001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).