2-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoylamino]-N-(3-methoxyphenyl)benzamide

C28H26N4O4 — CID 55359984

IUPAC2-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoylamino]-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2ccccc2NC(=O)CCc2nc3ccccc3c(=O)n2C2CC2)c1
InChIInChI=1S/C28H26N4O4/c1-36-20-8-6-7-18(17-20)29-27(34)21-9-2-4-11-23(21)31-26(33)16-15-25-30-24-12-5-3-10-22(24)28(35)32(25)19-13-14-19/h2-12,17,19H,13-16H2,1H3,(H,29,34)(H,31,33)
InChIKeyOLCRYVGGFVMLLA-UHFFFAOYSA-N
MW482.54 g/mol
LogP4.56
Rot. Bonds8

About 2-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoylamino]-N-(3-methoxyphenyl)benzamide

2-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoylamino]-N-(3-methoxyphenyl)benzamide (PubChem CID 55359984) has the molecular formula C28H26N4O4 and a molecular weight of 482.54 g/mol. Its IUPAC name is 2-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoylamino]-N-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound Name2-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoylamino]-N-(3-methoxyphenyl)benzamide
PubChem CID55359984
Molecular FormulaC28H26N4O4
Molecular Weight482.54 g/mol
Exact Mass482.20
IUPAC Name2-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoylamino]-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2ccccc2NC(=O)CCc2nc3ccccc3c(=O)n2C2CC2)c1
InChIInChI=1S/C28H26N4O4/c1-36-20-8-6-7-18(17-20)29-27(34)21-9-2-4-11-23(21)31-26(33)16-15-25-30-24-12-5-3-10-22(24)28(35)32(25)19-13-14-19/h2-12,17,19H,13-16H2,1H3,(H,29,34)(H,31,33)
InChIKeyOLCRYVGGFVMLLA-UHFFFAOYSA-N
XLogP4.56
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]propanamide
CID 55632270
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide
CID 55515218
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 55359950
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-(2-phenylpyrimidin-5-yl)propanamide
CID 134009414
N-[4-(2-chlorophenoxy)phenyl]-3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanamide
CID 55453569
(2-methoxy-2-oxoethyl) 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoate
CID 43050906
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide
CID 56523623
N-(3-methoxyphenyl)-2-[3-(3-methylphenyl)propanoylamino]benzamide
CID 55456678
methyl 2-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 56580760
2-[3-(2-ethoxyphenyl)propanoylamino]-N-(3-methoxyphenyl)benzamide
CID 55380656
N-(3-methoxyphenyl)-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide
CID 55342717
N-[3-[2-[(3-methoxyphenyl)carbamoyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55577306

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoylamino]-N-(3-methoxyphenyl)benzamide?
The IUPAC name of 2-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoylamino]-N-(3-methoxyphenyl)benzamide (CID 55359984) is 2-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoylamino]-N-(3-methoxyphenyl)benzamide.
What is the SMILES notation for 2-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoylamino]-N-(3-methoxyphenyl)benzamide?
The canonical SMILES for 2-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoylamino]-N-(3-methoxyphenyl)benzamide is COc1cccc(NC(=O)c2ccccc2NC(=O)CCc2nc3ccccc3c(=O)n2C2CC2)c1.
What is the InChIKey of 2-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoylamino]-N-(3-methoxyphenyl)benzamide?
The InChIKey is OLCRYVGGFVMLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O4/c1-36-20-8-6-7-18(17-20)29-27(34)21-9-2-4-11-23(21)31-26(33)16-15-25-30-24-12-5-3-10-22(24)28(35)32(25)19-13-14-19/h2-12,17,19H,13-16H2,1H3,(H,29,34)(H,31,33).
What are the key properties of 2-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoylamino]-N-(3-methoxyphenyl)benzamide?
2-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoylamino]-N-(3-methoxyphenyl)benzamide has a molecular weight of 482.54 g/mol, XLogP of 4.56, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoylamino]-N-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 55359984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).