6,8-difluoro-1-methyl-5-[5-[2-(1-methylcyclopropyl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline

C25H25F2N5 — CID 156557369

IUPAC6,8-difluoro-1-methyl-5-[5-[2-(1-methylcyclopropyl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline
SMILESCc1nnc2nc(N3CCCc4c(CCC5(C)CC5)cccc43)c3c(F)cc(F)cc3n12
InChIInChI=1S/C25H25F2N5/c1-15-29-30-24-28-23(22-19(27)13-17(26)14-21(22)32(15)24)31-12-4-6-18-16(5-3-7-20(18)31)8-9-25(2)10-11-25/h3,5,7,13-14H,4,6,8-12H2,1-2H3
InChIKeySNQRIEWMQPUQRT-UHFFFAOYSA-N
MW433.51 g/mol
LogP5.68
Rot. Bonds4

About 6,8-difluoro-1-methyl-5-[5-[2-(1-methylcyclopropyl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline

6,8-difluoro-1-methyl-5-[5-[2-(1-methylcyclopropyl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline (PubChem CID 156557369) has the molecular formula C25H25F2N5 and a molecular weight of 433.51 g/mol. Its IUPAC name is 6,8-difluoro-1-methyl-5-[5-[2-(1-methylcyclopropyl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline.

Molecular Properties

Compound Name6,8-difluoro-1-methyl-5-[5-[2-(1-methylcyclopropyl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline
PubChem CID156557369
Molecular FormulaC25H25F2N5
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name6,8-difluoro-1-methyl-5-[5-[2-(1-methylcyclopropyl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline
SMILESCc1nnc2nc(N3CCCc4c(CCC5(C)CC5)cccc43)c3c(F)cc(F)cc3n12
InChIInChI=1S/C25H25F2N5/c1-15-29-30-24-28-23(22-19(27)13-17(26)14-21(22)32(15)24)31-12-4-6-18-16(5-3-7-20(18)31)8-9-25(2)10-11-25/h3,5,7,13-14H,4,6,8-12H2,1-2H3
InChIKeySNQRIEWMQPUQRT-UHFFFAOYSA-N
XLogP5.68
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6,8-difluoro-1-methyl-5-[5-[2-(1-methylcyclopropyl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-1-methyl-5-[5-[2-(1-methylcyclopropyl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline?
The IUPAC name of 6,8-difluoro-1-methyl-5-[5-[2-(1-methylcyclopropyl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline (CID 156557369) is 6,8-difluoro-1-methyl-5-[5-[2-(1-methylcyclopropyl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline.
What is the SMILES notation for 6,8-difluoro-1-methyl-5-[5-[2-(1-methylcyclopropyl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline?
The canonical SMILES for 6,8-difluoro-1-methyl-5-[5-[2-(1-methylcyclopropyl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline is Cc1nnc2nc(N3CCCc4c(CCC5(C)CC5)cccc43)c3c(F)cc(F)cc3n12.
What is the InChIKey of 6,8-difluoro-1-methyl-5-[5-[2-(1-methylcyclopropyl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline?
The InChIKey is SNQRIEWMQPUQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N5/c1-15-29-30-24-28-23(22-19(27)13-17(26)14-21(22)32(15)24)31-12-4-6-18-16(5-3-7-20(18)31)8-9-25(2)10-11-25/h3,5,7,13-14H,4,6,8-12H2,1-2H3.
What are the key properties of 6,8-difluoro-1-methyl-5-[5-[2-(1-methylcyclopropyl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline?
6,8-difluoro-1-methyl-5-[5-[2-(1-methylcyclopropyl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline has a molecular weight of 433.51 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-1-methyl-5-[5-[2-(1-methylcyclopropyl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline is sourced from PubChem (CID 156557369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).