3-fluoro-N-[2-methoxy-5-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]benzamide

C26H23FN4O4 — CID 55725734

IUPAC3-fluoro-N-[2-methoxy-5-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]benzamide
SMILESCOc1ccc(NC(=O)CCn2cnc3c(C)cccc3c2=O)cc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C26H23FN4O4/c1-16-5-3-8-20-24(16)28-15-31(26(20)34)12-11-23(32)29-19-9-10-22(35-2)21(14-19)30-25(33)17-6-4-7-18(27)13-17/h3-10,13-15H,11-12H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyOCFQHPLBSZXYPR-UHFFFAOYSA-N
MW474.49 g/mol
LogP4.13
Rot. Bonds7

About 3-fluoro-N-[2-methoxy-5-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]benzamide

3-fluoro-N-[2-methoxy-5-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]benzamide (PubChem CID 55725734) has the molecular formula C26H23FN4O4 and a molecular weight of 474.49 g/mol. Its IUPAC name is 3-fluoro-N-[2-methoxy-5-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-methoxy-5-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]benzamide
PubChem CID55725734
Molecular FormulaC26H23FN4O4
Molecular Weight474.49 g/mol
Exact Mass474.17
IUPAC Name3-fluoro-N-[2-methoxy-5-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]benzamide
SMILESCOc1ccc(NC(=O)CCn2cnc3c(C)cccc3c2=O)cc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C26H23FN4O4/c1-16-5-3-8-20-24(16)28-15-31(26(20)34)12-11-23(32)29-19-9-10-22(35-2)21(14-19)30-25(33)17-6-4-7-18(27)13-17/h3-10,13-15H,11-12H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyOCFQHPLBSZXYPR-UHFFFAOYSA-N
XLogP4.13
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.49
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-acetamido-2-methylphenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 46463322
methyl 4,5-dimethoxy-2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]benzoate
CID 27133646
3-fluoro-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide
CID 46487241
N-[5-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-2-methoxyphenyl]-3-fluorobenzamide
CID 55725621
N-[5-(4-aminopentanoylamino)-2-methoxyphenyl]-3-fluorobenzamide
CID 120559883
3-fluoro-N-[5-[[2-(3-fluorophenyl)acetyl]amino]-2-methoxyphenyl]benzamide
CID 55725735
2-methyl-N-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]propanamide
CID 27146491
N,N-diethyl-4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]benzamide
CID 39723808
4-fluoro-N-[4-[1-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]ethyl]phenyl]benzamide
CID 60538144
N-[(2,5-dimethoxyphenyl)methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 33104099
N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 43049163
N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55779610

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-methoxy-5-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-methoxy-5-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]benzamide (CID 55725734) is 3-fluoro-N-[2-methoxy-5-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-methoxy-5-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-methoxy-5-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]benzamide is COc1ccc(NC(=O)CCn2cnc3c(C)cccc3c2=O)cc1NC(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-methoxy-5-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]benzamide?
The InChIKey is OCFQHPLBSZXYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O4/c1-16-5-3-8-20-24(16)28-15-31(26(20)34)12-11-23(32)29-19-9-10-22(35-2)21(14-19)30-25(33)17-6-4-7-18(27)13-17/h3-10,13-15H,11-12H2,1-2H3,(H,29,32)(H,30,33).
What are the key properties of 3-fluoro-N-[2-methoxy-5-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]benzamide?
3-fluoro-N-[2-methoxy-5-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]benzamide has a molecular weight of 474.49 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-methoxy-5-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]benzamide is sourced from PubChem (CID 55725734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).