N-cyclopropyl-3-(4-oxoquinazolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide

C22H20F3N3O2 — CID 38532450

IUPACN-cyclopropyl-3-(4-oxoquinazolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1
InChIInChI=1S/C22H20F3N3O2/c23-22(24,25)16-7-5-15(6-8-16)13-28(17-9-10-17)20(29)11-12-27-14-26-19-4-2-1-3-18(19)21(27)30/h1-8,14,17H,9-13H2
InChIKeyYQVZZUOLSKVIDR-UHFFFAOYSA-N
MW415.42 g/mol
LogP4.00
Rot. Bonds6

About N-cyclopropyl-3-(4-oxoquinazolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide

N-cyclopropyl-3-(4-oxoquinazolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 38532450) has the molecular formula C22H20F3N3O2 and a molecular weight of 415.42 g/mol. Its IUPAC name is N-cyclopropyl-3-(4-oxoquinazolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(4-oxoquinazolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID38532450
Molecular FormulaC22H20F3N3O2
Molecular Weight415.42 g/mol
Exact Mass415.15
IUPAC NameN-cyclopropyl-3-(4-oxoquinazolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1
InChIInChI=1S/C22H20F3N3O2/c23-22(24,25)16-7-5-15(6-8-16)13-28(17-9-10-17)20(29)11-12-27-14-26-19-4-2-1-3-18(19)21(27)30/h1-8,14,17H,9-13H2
InChIKeyYQVZZUOLSKVIDR-UHFFFAOYSA-N
XLogP4.00
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 126788538
N-(cyanomethyl)-N-cyclopropyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 51097011
N-[(4-fluorophenyl)methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 51272205
3-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 30292156
N-(oxan-4-yl)-3-(4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 90610934
N-cyclopropyl-2-(4-oxoquinazolin-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 35753654
N-cyclopropyl-4-(1,3-dioxoisoindol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 46588656
4-[(4-oxoquinazolin-3-yl)methyl]-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 4911915
N-methyl-3-(4-oxoquinazolin-3-yl)-N-phenylpropanamide
CID 25298269
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 16573047
N-[(2-fluorophenyl)methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 51271973
N-cyclopropyl-4-(2-methyl-4-oxoquinazolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 38531982

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(4-oxoquinazolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of N-cyclopropyl-3-(4-oxoquinazolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide (CID 38532450) is N-cyclopropyl-3-(4-oxoquinazolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-(4-oxoquinazolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for N-cyclopropyl-3-(4-oxoquinazolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide is O=C(CCn1cnc2ccccc2c1=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-3-(4-oxoquinazolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is YQVZZUOLSKVIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O2/c23-22(24,25)16-7-5-15(6-8-16)13-28(17-9-10-17)20(29)11-12-27-14-26-19-4-2-1-3-18(19)21(27)30/h1-8,14,17H,9-13H2.
What are the key properties of N-cyclopropyl-3-(4-oxoquinazolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
N-cyclopropyl-3-(4-oxoquinazolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 415.42 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(4-oxoquinazolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 38532450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).