N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-methylbenzamide

C23H18FN3O2 — CID 7593064

IUPACN-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(-n3c(C)nc4ccccc4c3=O)ccc2F)cc1
InChIInChI=1S/C23H18FN3O2/c1-14-7-9-16(10-8-14)22(28)26-21-13-17(11-12-19(21)24)27-15(2)25-20-6-4-3-5-18(20)23(27)29/h3-13H,1-2H3,(H,26,28)
InChIKeyKDTUEIFPZPJHFM-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.39
Rot. Bonds3

About N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-methylbenzamide

N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-methylbenzamide (PubChem CID 7593064) has the molecular formula C23H18FN3O2 and a molecular weight of 387.41 g/mol. Its IUPAC name is N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-methylbenzamide
PubChem CID7593064
Molecular FormulaC23H18FN3O2
Molecular Weight387.41 g/mol
Exact Mass387.14
IUPAC NameN-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(-n3c(C)nc4ccccc4c3=O)ccc2F)cc1
InChIInChI=1S/C23H18FN3O2/c1-14-7-9-16(10-8-14)22(28)26-21-13-17(11-12-19(21)24)27-15(2)25-20-6-4-3-5-18(20)23(27)29/h3-13H,1-2H3,(H,26,28)
InChIKeyKDTUEIFPZPJHFM-UHFFFAOYSA-N
XLogP4.39
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294843
4-methyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294842
5-bromo-2-chloro-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 41077291
(2S)-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylbutanamide
CID 7593095
4-chloro-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294888
2,5-dichloro-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 41077256
3-[3-(dimethylsulfamoylamino)-4-fluorophenyl]-2-methyl-4-oxoquinazoline
CID 7593132
2-[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]benzamide
CID 9399217
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-ethoxybenzamide
CID 41077216
N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-3-methylbenzenesulfonamide
CID 43995526
N-(3-iodo-4-methylphenyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 46809727
3-bromo-N-[2-fluoro-5-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
CID 27543900

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-methylbenzamide?
The IUPAC name of N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-methylbenzamide (CID 7593064) is N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-methylbenzamide?
The canonical SMILES for N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2cc(-n3c(C)nc4ccccc4c3=O)ccc2F)cc1.
What is the InChIKey of N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-methylbenzamide?
The InChIKey is KDTUEIFPZPJHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O2/c1-14-7-9-16(10-8-14)22(28)26-21-13-17(11-12-19(21)24)27-15(2)25-20-6-4-3-5-18(20)23(27)29/h3-13H,1-2H3,(H,26,28).
What are the key properties of N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-methylbenzamide?
N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-methylbenzamide has a molecular weight of 387.41 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-methylbenzamide is sourced from PubChem (CID 7593064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).