N-benzyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-fluorobenzamide

C32H28FN3O2 — CID 42721898

IUPACN-benzyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-fluorobenzamide
SMILESCCc1ccc(-n2c(C(C)N(Cc3ccccc3)C(=O)c3ccccc3F)nc3ccccc3c2=O)cc1
InChIInChI=1S/C32H28FN3O2/c1-3-23-17-19-25(20-18-23)36-30(34-29-16-10-8-14-27(29)32(36)38)22(2)35(21-24-11-5-4-6-12-24)31(37)26-13-7-9-15-28(26)33/h4-20,22H,3,21H2,1-2H3
InChIKeyIGUOJANJLUXMIV-UHFFFAOYSA-N
MW505.59 g/mol
LogP6.49
Rot. Bonds7

About N-benzyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-fluorobenzamide

N-benzyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-fluorobenzamide (PubChem CID 42721898) has the molecular formula C32H28FN3O2 and a molecular weight of 505.59 g/mol. Its IUPAC name is N-benzyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-benzyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-fluorobenzamide
PubChem CID42721898
Molecular FormulaC32H28FN3O2
Molecular Weight505.59 g/mol
Exact Mass505.22
IUPAC NameN-benzyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-fluorobenzamide
SMILESCCc1ccc(-n2c(C(C)N(Cc3ccccc3)C(=O)c3ccccc3F)nc3ccccc3c2=O)cc1
InChIInChI=1S/C32H28FN3O2/c1-3-23-17-19-25(20-18-23)36-30(34-29-16-10-8-14-27(29)32(36)38)22(2)35(21-24-11-5-4-6-12-24)31(37)26-13-7-9-15-28(26)33/h4-20,22H,3,21H2,1-2H3
InChIKeyIGUOJANJLUXMIV-UHFFFAOYSA-N
XLogP6.49
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.59
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide
CID 42715988
N-benzyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]octanamide
CID 42721895
2-fluoro-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide
CID 42715717
N-benzyl-2-fluoro-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42713192
2-fluoro-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)benzamide
CID 42716924
2-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylbenzamide
CID 3396625
2-fluoro-N-(3-methoxypropyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42727689
N-ethyl-2-fluoro-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42717191
N-ethyl-2-fluoro-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42718224
N-benzyl-2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42719081
N-benzyl-2,4-dichloro-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 4560753
2-fluoro-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbenzamide
CID 42719027

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-fluorobenzamide?
The IUPAC name of N-benzyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-fluorobenzamide (CID 42721898) is N-benzyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-fluorobenzamide.
What is the SMILES notation for N-benzyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-fluorobenzamide?
The canonical SMILES for N-benzyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-fluorobenzamide is CCc1ccc(-n2c(C(C)N(Cc3ccccc3)C(=O)c3ccccc3F)nc3ccccc3c2=O)cc1.
What is the InChIKey of N-benzyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-fluorobenzamide?
The InChIKey is IGUOJANJLUXMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28FN3O2/c1-3-23-17-19-25(20-18-23)36-30(34-29-16-10-8-14-27(29)32(36)38)22(2)35(21-24-11-5-4-6-12-24)31(37)26-13-7-9-15-28(26)33/h4-20,22H,3,21H2,1-2H3.
What are the key properties of N-benzyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-fluorobenzamide?
N-benzyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-fluorobenzamide has a molecular weight of 505.59 g/mol, XLogP of 6.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-fluorobenzamide is sourced from PubChem (CID 42721898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).