3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide

C27H25N5O3 — CID 55515218

IUPAC3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide
SMILESO=C(CCc1nc2ccccc2c(=O)n1C1CC1)Nc1cccc(NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C27H25N5O3/c33-25(16-15-24-31-23-12-5-4-11-22(23)26(34)32(24)21-13-14-21)28-19-9-6-10-20(17-19)30-27(35)29-18-7-2-1-3-8-18/h1-12,17,21H,13-16H2,(H,28,33)(H2,29,30,35)
InChIKeyQWBVWXIRFZFPIF-UHFFFAOYSA-N
MW467.53 g/mol
LogP4.95
Rot. Bonds7

About 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide

3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide (PubChem CID 55515218) has the molecular formula C27H25N5O3 and a molecular weight of 467.53 g/mol. Its IUPAC name is 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide
PubChem CID55515218
Molecular FormulaC27H25N5O3
Molecular Weight467.53 g/mol
Exact Mass467.20
IUPAC Name3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide
SMILESO=C(CCc1nc2ccccc2c(=O)n1C1CC1)Nc1cccc(NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C27H25N5O3/c33-25(16-15-24-31-23-12-5-4-11-22(23)26(34)32(24)21-13-14-21)28-19-9-6-10-20(17-19)30-27(35)29-18-7-2-1-3-8-18/h1-12,17,21H,13-16H2,(H,28,33)(H2,29,30,35)
InChIKeyQWBVWXIRFZFPIF-UHFFFAOYSA-N
XLogP4.95
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 55359950
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]propanamide
CID 55632270
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-(2-phenylpyrimidin-5-yl)propanamide
CID 134009414
S-[4-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoylamino]phenyl] N,N-dimethylcarbamothioate
CID 56579902
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoic acid
CID 7131753
N-[4-(2-chlorophenoxy)phenyl]-3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanamide
CID 55453569
2-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoylamino]-N-(3-methoxyphenyl)benzamide
CID 55359984
N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanamide
CID 55802198
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-(9H-xanthen-9-yl)propanamide
CID 56547700
N-(3-acetamidophenyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 8980188
(2-methoxy-2-oxoethyl) 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoate
CID 43050906
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]propanamide
CID 55358562

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide?
The IUPAC name of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide (CID 55515218) is 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide.
What is the SMILES notation for 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide?
The canonical SMILES for 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide is O=C(CCc1nc2ccccc2c(=O)n1C1CC1)Nc1cccc(NC(=O)Nc2ccccc2)c1.
What is the InChIKey of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide?
The InChIKey is QWBVWXIRFZFPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O3/c33-25(16-15-24-31-23-12-5-4-11-22(23)26(34)32(24)21-13-14-21)28-19-9-6-10-20(17-19)30-27(35)29-18-7-2-1-3-8-18/h1-12,17,21H,13-16H2,(H,28,33)(H2,29,30,35).
What are the key properties of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide?
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide has a molecular weight of 467.53 g/mol, XLogP of 4.95, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide is sourced from PubChem (CID 55515218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).