N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide

C22H18ClF6N3O2 — CID 42712308

IUPACN-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide
SMILESCCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(C)c1nc2cc(Cl)ccc2c(=O)n1C
InChIInChI=1S/C22H18ClF6N3O2/c1-4-32(11(2)18-30-17-10-15(23)5-6-16(17)20(34)31(18)3)19(33)12-7-13(21(24,25)26)9-14(8-12)22(27,28)29/h5-11H,4H2,1-3H3
InChIKeyKKNQRUBIXWDQSY-UHFFFAOYSA-N
MW505.85 g/mol
LogP5.85
Rot. Bonds4

About N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide

N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide (PubChem CID 42712308) has the molecular formula C22H18ClF6N3O2 and a molecular weight of 505.85 g/mol. Its IUPAC name is N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide
PubChem CID42712308
Molecular FormulaC22H18ClF6N3O2
Molecular Weight505.85 g/mol
Exact Mass505.10
IUPAC NameN-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide
SMILESCCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(C)c1nc2cc(Cl)ccc2c(=O)n1C
InChIInChI=1S/C22H18ClF6N3O2/c1-4-32(11(2)18-30-17-10-15(23)5-6-16(17)20(34)31(18)3)19(33)12-7-13(21(24,25)26)9-14(8-12)22(27,28)29/h5-11H,4H2,1-3H3
InChIKeyKKNQRUBIXWDQSY-UHFFFAOYSA-N
XLogP5.85
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.85
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-aminohexyl)-N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 4666240
1-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-1-ethyl-3-[2-(trifluoromethyl)phenyl]urea
CID 42713030
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide
CID 42711320
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-ethylhexanamide
CID 42712294
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-(4-chlorophenoxy)-N-ethylacetamide
CID 42712301
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-pentylbutanamide
CID 42716945
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)-4-methylbenzamide
CID 42728218
4-chloro-N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylbutanamide
CID 42712263
3-bromo-N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)benzamide
CID 42728275
1-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(2,4-dimethoxyphenyl)-1-ethylurea
CID 42713036
1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-chlorophenyl)-1-ethylurea
CID 42711223
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]heptanamide
CID 42714938

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide (CID 42712308) is N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide is CCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(C)c1nc2cc(Cl)ccc2c(=O)n1C.
What is the InChIKey of N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is KKNQRUBIXWDQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF6N3O2/c1-4-32(11(2)18-30-17-10-15(23)5-6-16(17)20(34)31(18)3)19(33)12-7-13(21(24,25)26)9-14(8-12)22(27,28)29/h5-11H,4H2,1-3H3.
What are the key properties of N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide?
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 505.85 g/mol, XLogP of 5.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 42712308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).