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

C25H22FN3O2 — CID 7593095

IUPAC(2S)-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylbutanamide
SMILESCC[C@H](C(=O)Nc1cc(-n2c(C)nc3ccccc3c2=O)ccc1F)c1ccccc1
InChIInChI=1S/C25H22FN3O2/c1-3-19(17-9-5-4-6-10-17)24(30)28-23-15-18(13-14-21(23)26)29-16(2)27-22-12-8-7-11-20(22)25(29)31/h4-15,19H,3H2,1-2H3,(H,28,30)/t19-/m0/s1
InChIKeyGYJGYZLYUFOXGA-IBGZPJMESA-N
MW415.47 g/mol
LogP4.97
Rot. Bonds5

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

(2S)-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylbutanamide (PubChem CID 7593095) has the molecular formula C25H22FN3O2 and a molecular weight of 415.47 g/mol. Its IUPAC name is (2S)-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2S)-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylbutanamide
PubChem CID7593095
Molecular FormulaC25H22FN3O2
Molecular Weight415.47 g/mol
Exact Mass415.17
IUPAC Name(2S)-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylbutanamide
SMILESCC[C@H](C(=O)Nc1cc(-n2c(C)nc3ccccc3c2=O)ccc1F)c1ccccc1
InChIInChI=1S/C25H22FN3O2/c1-3-19(17-9-5-4-6-10-17)24(30)28-23-15-18(13-14-21(23)26)29-16(2)27-22-12-8-7-11-20(22)25(29)31/h4-15,19H,3H2,1-2H3,(H,28,30)/t19-/m0/s1
InChIKeyGYJGYZLYUFOXGA-IBGZPJMESA-N
XLogP4.97
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-methylbenzamide
CID 7593064
5-bromo-2-chloro-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 41077291
2-(2,4-dichlorophenoxy)-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide
CID 41077275
3-[3-(dimethylsulfamoylamino)-4-fluorophenyl]-2-methyl-4-oxoquinazoline
CID 7593132
2,5-dichloro-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 41077256
N-(2-fluorophenyl)-2-phenylbutanamide
CID 3897268
2-(2,4-difluorophenoxy)-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide
CID 43988615
N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-3-methylbenzenesulfonamide
CID 43995526
N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenoxypropanamide
CID 50834702
2-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide
CID 7294903
N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide
CID 7294898
2-chloro-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 41077192

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylbutanamide?
The IUPAC name of (2S)-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylbutanamide (CID 7593095) is (2S)-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylbutanamide.
What is the SMILES notation for (2S)-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylbutanamide?
The canonical SMILES for (2S)-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylbutanamide is CC[C@H](C(=O)Nc1cc(-n2c(C)nc3ccccc3c2=O)ccc1F)c1ccccc1.
What is the InChIKey of (2S)-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylbutanamide?
The InChIKey is GYJGYZLYUFOXGA-IBGZPJMESA-N. The full InChI is InChI=1S/C25H22FN3O2/c1-3-19(17-9-5-4-6-10-17)24(30)28-23-15-18(13-14-21(23)26)29-16(2)27-22-12-8-7-11-20(22)25(29)31/h4-15,19H,3H2,1-2H3,(H,28,30)/t19-/m0/s1.
What are the key properties of (2S)-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylbutanamide?
(2S)-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylbutanamide has a molecular weight of 415.47 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylbutanamide is sourced from PubChem (CID 7593095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).