3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-(2-phenylpyrimidin-5-yl)propanamide

C24H21N5O2 — CID 134009414

IUPAC3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-(2-phenylpyrimidin-5-yl)propanamide
SMILESO=C(CCc1nc2ccccc2c(=O)n1C1CC1)Nc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C24H21N5O2/c30-22(27-17-14-25-23(26-15-17)16-6-2-1-3-7-16)13-12-21-28-20-9-5-4-8-19(20)24(31)29(21)18-10-11-18/h1-9,14-15,18H,10-13H2,(H,27,30)
InChIKeyOGDFRUWVGYXHIP-UHFFFAOYSA-N
MW411.47 g/mol
LogP3.76
Rot. Bonds6

About 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-(2-phenylpyrimidin-5-yl)propanamide

3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-(2-phenylpyrimidin-5-yl)propanamide (PubChem CID 134009414) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-(2-phenylpyrimidin-5-yl)propanamide.

Molecular Properties

Compound Name3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-(2-phenylpyrimidin-5-yl)propanamide
PubChem CID134009414
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC Name3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-(2-phenylpyrimidin-5-yl)propanamide
SMILESO=C(CCc1nc2ccccc2c(=O)n1C1CC1)Nc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C24H21N5O2/c30-22(27-17-14-25-23(26-15-17)16-6-2-1-3-7-16)13-12-21-28-20-9-5-4-8-19(20)24(31)29(21)18-10-11-18/h1-9,14-15,18H,10-13H2,(H,27,30)
InChIKeyOGDFRUWVGYXHIP-UHFFFAOYSA-N
XLogP3.76
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide
CID 55515218
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
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]propanamide
CID 55632270
S-[4-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoylamino]phenyl] N,N-dimethylcarbamothioate
CID 56579902
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 55359950
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 55360146
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-(9H-xanthen-9-yl)propanamide
CID 56547700
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-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide
CID 56523623
(2-methoxy-2-oxoethyl) 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoate
CID 43050906

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-(2-phenylpyrimidin-5-yl)propanamide?
The IUPAC name of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-(2-phenylpyrimidin-5-yl)propanamide (CID 134009414) is 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-(2-phenylpyrimidin-5-yl)propanamide.
What is the SMILES notation for 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-(2-phenylpyrimidin-5-yl)propanamide?
The canonical SMILES for 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-(2-phenylpyrimidin-5-yl)propanamide is O=C(CCc1nc2ccccc2c(=O)n1C1CC1)Nc1cnc(-c2ccccc2)nc1.
What is the InChIKey of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-(2-phenylpyrimidin-5-yl)propanamide?
The InChIKey is OGDFRUWVGYXHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c30-22(27-17-14-25-23(26-15-17)16-6-2-1-3-7-16)13-12-21-28-20-9-5-4-8-19(20)24(31)29(21)18-10-11-18/h1-9,14-15,18H,10-13H2,(H,27,30).
What are the key properties of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-(2-phenylpyrimidin-5-yl)propanamide?
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-(2-phenylpyrimidin-5-yl)propanamide has a molecular weight of 411.47 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-(2-phenylpyrimidin-5-yl)propanamide is sourced from PubChem (CID 134009414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).