N-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylcyclopropane-1-carboxamide

C21H21N3O2 — CID 73317107

IUPACN-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylcyclopropane-1-carboxamide
SMILESCC(C)c1nc2ccccc2c(=O)n1NC(=O)C1CC1c1ccccc1
InChIInChI=1S/C21H21N3O2/c1-13(2)19-22-18-11-7-6-10-15(18)21(26)24(19)23-20(25)17-12-16(17)14-8-4-3-5-9-14/h3-11,13,16-17H,12H2,1-2H3,(H,23,25)
InChIKeyWIDGAHYTBQLQDD-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.39
Rot. Bonds4

About N-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylcyclopropane-1-carboxamide

N-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 73317107) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylcyclopropane-1-carboxamide
PubChem CID73317107
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylcyclopropane-1-carboxamide
SMILESCC(C)c1nc2ccccc2c(=O)n1NC(=O)C1CC1c1ccccc1
InChIInChI=1S/C21H21N3O2/c1-13(2)19-22-18-11-7-6-10-15(18)21(26)24(19)23-20(25)17-12-16(17)14-8-4-3-5-9-14/h3-11,13,16-17H,12H2,1-2H3,(H,23,25)
InChIKeyWIDGAHYTBQLQDD-UHFFFAOYSA-N
XLogP3.39
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-(4-oxo-2-propan-2-ylquinazolin-3-yl)propanamide
CID 16723037
(2S)-2-fluoro-N-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylpropanamide
CID 16723151
2-(4-chlorophenyl)-N-[7-fluoro-2-[methyl(propan-2-yl)amino]-4-oxoquinazolin-3-yl]cyclopropane-1-carboxamide
CID 70666946
N-[2-[(1S)-1-hydroxy-2-methylpropyl]-4-oxoquinazolin-3-yl]acetamide
CID 10912745
3-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-propan-2-ylquinazolin-4-one
CID 86167686
2-[[(1R,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methylsulfanyl]-N-(4-oxo-2-propan-2-ylquinazolin-3-yl)propanamide
CID 68751142
N-[2-[1-(1-hydroxycyclopentyl)ethyl]-4-oxoquinazolin-3-yl]acetamide
CID 10829136
N-(4-bromobutan-2-yl)-2-phenylcyclopropane-1-carboxamide
CID 83180682
N-(2-ethyl-4-oxoquinazolin-3-yl)cycloheptanecarboxamide
CID 24823328
2-phenyl-N-[1-(4-propan-2-ylphenyl)ethylideneamino]cyclopropane-1-carboxamide
CID 4112006
N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 110280040
2-(1-chloroethyl)-3-(2-methylcyclopropyl)quinazolin-4-one
CID 62409793

Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylcyclopropane-1-carboxamide (CID 73317107) is N-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylcyclopropane-1-carboxamide is CC(C)c1nc2ccccc2c(=O)n1NC(=O)C1CC1c1ccccc1.
What is the InChIKey of N-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is WIDGAHYTBQLQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-13(2)19-22-18-11-7-6-10-15(18)21(26)24(19)23-20(25)17-12-16(17)14-8-4-3-5-9-14/h3-11,13,16-17H,12H2,1-2H3,(H,23,25).
What are the key properties of N-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylcyclopropane-1-carboxamide?
N-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 73317107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).