7-fluoro-5-[7-fluoro-5-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinazoline

C25H22F5N5 — CID 156557717

IUPAC7-fluoro-5-[7-fluoro-5-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinazoline
SMILESCc1nnc2nc(N3CCCc4c(CCC5(C(F)(F)F)CC5)cc(F)cc43)c3cc(F)ccc3n12
InChIInChI=1S/C25H22F5N5/c1-14-32-33-23-31-22(19-12-16(26)4-5-20(19)35(14)23)34-10-2-3-18-15(11-17(27)13-21(18)34)6-7-24(8-9-24)25(28,29)30/h4-5,11-13H,2-3,6-10H2,1H3
InChIKeyOHNDJHSITJNVPN-UHFFFAOYSA-N
MW487.48 g/mol
LogP6.22
Rot. Bonds4

About 7-fluoro-5-[7-fluoro-5-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinazoline

7-fluoro-5-[7-fluoro-5-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinazoline (PubChem CID 156557717) has the molecular formula C25H22F5N5 and a molecular weight of 487.48 g/mol. Its IUPAC name is 7-fluoro-5-[7-fluoro-5-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinazoline.

Molecular Properties

Compound Name7-fluoro-5-[7-fluoro-5-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinazoline
PubChem CID156557717
Molecular FormulaC25H22F5N5
Molecular Weight487.48 g/mol
Exact Mass487.18
IUPAC Name7-fluoro-5-[7-fluoro-5-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinazoline
SMILESCc1nnc2nc(N3CCCc4c(CCC5(C(F)(F)F)CC5)cc(F)cc43)c3cc(F)ccc3n12
InChIInChI=1S/C25H22F5N5/c1-14-32-33-23-31-22(19-12-16(26)4-5-20(19)35(14)23)34-10-2-3-18-15(11-17(27)13-21(18)34)6-7-24(8-9-24)25(28,29)30/h4-5,11-13H,2-3,6-10H2,1H3
InChIKeyOHNDJHSITJNVPN-UHFFFAOYSA-N
XLogP6.22
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.48
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-fluoro-5-[7-fluoro-5-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinazoline 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,3-dimethyl-N-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
CID 16023100
5-Butyl-2-(4-fluoro-phenyl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 17863215
4-N-methyl-7-[2-pyrrolidin-1-yl-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 57607037
N-benzyl-2-(2,4-dimethylindol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 90032634
5,5-dimethyl-3-quinolin-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinoline
CID 765724
5-[4-(2,3-Dimethylphenyl)piperazin-1-yl]-3-methyl[1,2,4]triazolo[4,3-c]quinazoline
CID 15990148
1-{5-Methyl-2-phenyl-[1,2,4]triazolo[1,5-A]pyrimidin-7-YL}-4-[3-(trifluoromethyl)phenyl]piperazine
CID 16014499
N-benzyl-2-[2-methyl-4-(2H-tetrazol-5-yl)indol-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 127041309
1-(2,3-Dimethylphenyl)-4-[2-(pyridin-3-YL)-[1,2,4]triazolo[1,5-C]quinazolin-5-YL]piperazine
CID 16010818
N-benzyl-2-[2-methyl-4-(trifluoromethyl)indol-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 90032147
US10822338, Example 28
CID 137360099
US11845723, Example 120
CID 156536217

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-[7-fluoro-5-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinazoline?
The IUPAC name of 7-fluoro-5-[7-fluoro-5-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinazoline (CID 156557717) is 7-fluoro-5-[7-fluoro-5-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinazoline.
What is the SMILES notation for 7-fluoro-5-[7-fluoro-5-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinazoline?
The canonical SMILES for 7-fluoro-5-[7-fluoro-5-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinazoline is Cc1nnc2nc(N3CCCc4c(CCC5(C(F)(F)F)CC5)cc(F)cc43)c3cc(F)ccc3n12.
What is the InChIKey of 7-fluoro-5-[7-fluoro-5-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinazoline?
The InChIKey is OHNDJHSITJNVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F5N5/c1-14-32-33-23-31-22(19-12-16(26)4-5-20(19)35(14)23)34-10-2-3-18-15(11-17(27)13-21(18)34)6-7-24(8-9-24)25(28,29)30/h4-5,11-13H,2-3,6-10H2,1H3.
What are the key properties of 7-fluoro-5-[7-fluoro-5-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinazoline?
7-fluoro-5-[7-fluoro-5-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinazoline has a molecular weight of 487.48 g/mol, XLogP of 6.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-[7-fluoro-5-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinazoline is sourced from PubChem (CID 156557717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).