N-[2-[3-(8-methyl-4-oxo-3H-quinazolin-2-yl)-N-propyl-5-(trifluoromethyl)anilino]ethyl]benzamide

C28H27F3N4O2 — CID 137127655

IUPACN-[2-[3-(8-methyl-4-oxo-3H-quinazolin-2-yl)-N-propyl-5-(trifluoromethyl)anilino]ethyl]benzamide
SMILESCCCN(CCNC(=O)c1ccccc1)c1cc(-c2nc3c(C)cccc3c(=O)[nH]2)cc(C(F)(F)F)c1
InChIInChI=1S/C28H27F3N4O2/c1-3-13-35(14-12-32-26(36)19-9-5-4-6-10-19)22-16-20(15-21(17-22)28(29,30)31)25-33-24-18(2)8-7-11-23(24)27(37)34-25/h4-11,15-17H,3,12-14H2,1-2H3,(H,32,36)(H,33,34,37)
InChIKeyVZRXCAWLFDOSGK-UHFFFAOYSA-N
MW508.54 g/mol
LogP5.56
Rot. Bonds8

About N-[2-[3-(8-methyl-4-oxo-3H-quinazolin-2-yl)-N-propyl-5-(trifluoromethyl)anilino]ethyl]benzamide

N-[2-[3-(8-methyl-4-oxo-3H-quinazolin-2-yl)-N-propyl-5-(trifluoromethyl)anilino]ethyl]benzamide (PubChem CID 137127655) has the molecular formula C28H27F3N4O2 and a molecular weight of 508.54 g/mol. Its IUPAC name is N-[2-[3-(8-methyl-4-oxo-3H-quinazolin-2-yl)-N-propyl-5-(trifluoromethyl)anilino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[3-(8-methyl-4-oxo-3H-quinazolin-2-yl)-N-propyl-5-(trifluoromethyl)anilino]ethyl]benzamide
PubChem CID137127655
Molecular FormulaC28H27F3N4O2
Molecular Weight508.54 g/mol
Exact Mass508.21
IUPAC NameN-[2-[3-(8-methyl-4-oxo-3H-quinazolin-2-yl)-N-propyl-5-(trifluoromethyl)anilino]ethyl]benzamide
SMILESCCCN(CCNC(=O)c1ccccc1)c1cc(-c2nc3c(C)cccc3c(=O)[nH]2)cc(C(F)(F)F)c1
InChIInChI=1S/C28H27F3N4O2/c1-3-13-35(14-12-32-26(36)19-9-5-4-6-10-19)22-16-20(15-21(17-22)28(29,30)31)25-33-24-18(2)8-7-11-23(24)27(37)34-25/h4-11,15-17H,3,12-14H2,1-2H3,(H,32,36)(H,33,34,37)
InChIKeyVZRXCAWLFDOSGK-UHFFFAOYSA-N
XLogP5.56
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.54
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-methyl-2-[3-pyridin-4-yl-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 137108978
8-methyl-2-[3-(1,3-thiazol-5-yl)-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 137108981
2-[3-bromo-5-(trifluoromethyl)phenyl]-8-fluoro-3H-quinazolin-4-one
CID 137108934
2-[3-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-8-methyl-3H-quinazolin-4-one
CID 137108961
2-[3-bromo-5-(trifluoromethyl)phenyl]-8-chloro-3H-quinazolin-4-one
CID 137108927
N-[2-(dimethylamino)ethyl]-7-(trifluoromethyl)acridine-4-carboxamide
CID 11792926
N-[2-(N-ethyl-3-methylanilino)ethyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 134061330
N-[4-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-propylamino]-4-oxobutyl]benzamide
CID 137294577
8-methoxy-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 135513721
3-[ethyl-[(8-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoic acid
CID 135966774
7-bromo-2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-3H-quinazolin-4-one
CID 137108949
N-[3-[2-(N-ethyl-3-methylanilino)ethylamino]-3-oxopropyl]benzamide
CID 51151803

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(8-methyl-4-oxo-3H-quinazolin-2-yl)-N-propyl-5-(trifluoromethyl)anilino]ethyl]benzamide?
The IUPAC name of N-[2-[3-(8-methyl-4-oxo-3H-quinazolin-2-yl)-N-propyl-5-(trifluoromethyl)anilino]ethyl]benzamide (CID 137127655) is N-[2-[3-(8-methyl-4-oxo-3H-quinazolin-2-yl)-N-propyl-5-(trifluoromethyl)anilino]ethyl]benzamide.
What is the SMILES notation for N-[2-[3-(8-methyl-4-oxo-3H-quinazolin-2-yl)-N-propyl-5-(trifluoromethyl)anilino]ethyl]benzamide?
The canonical SMILES for N-[2-[3-(8-methyl-4-oxo-3H-quinazolin-2-yl)-N-propyl-5-(trifluoromethyl)anilino]ethyl]benzamide is CCCN(CCNC(=O)c1ccccc1)c1cc(-c2nc3c(C)cccc3c(=O)[nH]2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[2-[3-(8-methyl-4-oxo-3H-quinazolin-2-yl)-N-propyl-5-(trifluoromethyl)anilino]ethyl]benzamide?
The InChIKey is VZRXCAWLFDOSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3N4O2/c1-3-13-35(14-12-32-26(36)19-9-5-4-6-10-19)22-16-20(15-21(17-22)28(29,30)31)25-33-24-18(2)8-7-11-23(24)27(37)34-25/h4-11,15-17H,3,12-14H2,1-2H3,(H,32,36)(H,33,34,37).
What are the key properties of N-[2-[3-(8-methyl-4-oxo-3H-quinazolin-2-yl)-N-propyl-5-(trifluoromethyl)anilino]ethyl]benzamide?
N-[2-[3-(8-methyl-4-oxo-3H-quinazolin-2-yl)-N-propyl-5-(trifluoromethyl)anilino]ethyl]benzamide has a molecular weight of 508.54 g/mol, XLogP of 5.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(8-methyl-4-oxo-3H-quinazolin-2-yl)-N-propyl-5-(trifluoromethyl)anilino]ethyl]benzamide is sourced from PubChem (CID 137127655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).