1-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-[4-fluoro-6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-1,3,5-triazin-2-yl]-3,4-dihydro-2H-quinoline

C41H43FN6 — CID 118857317

IUPAC1-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-[4-fluoro-6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-1,3,5-triazin-2-yl]-3,4-dihydro-2H-quinoline
SMILESCC1(C)c2ccc(-c3cc(F)c(-c4nc(N5CCCc6ccccc65)nc(N5CCCc6ccccc65)n4)cn3)cc2C(C)(C)C1(C)C
InChIInChI=1S/C41H43FN6/c1-39(2)30-20-19-28(23-31(30)40(3,4)41(39,5)6)33-24-32(42)29(25-43-33)36-44-37(47-21-11-15-26-13-7-9-17-34(26)47)46-38(45-36)48-22-12-16-27-14-8-10-18-35(27)48/h7-10,13-14,17-20,23-25H,11-12,15-16,21-22H2,1-6H3
InChIKeyVTEODQSWZZAYGX-UHFFFAOYSA-N
MW638.84 g/mol
LogP9.50
Rot. Bonds4

About 1-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-[4-fluoro-6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-1,3,5-triazin-2-yl]-3,4-dihydro-2H-quinoline

1-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-[4-fluoro-6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-1,3,5-triazin-2-yl]-3,4-dihydro-2H-quinoline (PubChem CID 118857317) has the molecular formula C41H43FN6 and a molecular weight of 638.84 g/mol. Its IUPAC name is 1-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-[4-fluoro-6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-1,3,5-triazin-2-yl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-[4-fluoro-6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-1,3,5-triazin-2-yl]-3,4-dihydro-2H-quinoline
PubChem CID118857317
Molecular FormulaC41H43FN6
Molecular Weight638.84 g/mol
Exact Mass638.35
IUPAC Name1-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-[4-fluoro-6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-1,3,5-triazin-2-yl]-3,4-dihydro-2H-quinoline
SMILESCC1(C)c2ccc(-c3cc(F)c(-c4nc(N5CCCc6ccccc65)nc(N5CCCc6ccccc65)n4)cn3)cc2C(C)(C)C1(C)C
InChIInChI=1S/C41H43FN6/c1-39(2)30-20-19-28(23-31(30)40(3,4)41(39,5)6)33-24-32(42)29(25-43-33)36-44-37(47-21-11-15-26-13-7-9-17-34(26)47)46-38(45-36)48-22-12-16-27-14-8-10-18-35(27)48/h7-10,13-14,17-20,23-25H,11-12,15-16,21-22H2,1-6H3
InChIKeyVTEODQSWZZAYGX-UHFFFAOYSA-N
XLogP9.50
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.84
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-[4-fluoro-6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-1,3,5-triazin-2-yl]-3,4-dihydro-2H-quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-[4-fluoro-6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-1,3,5-triazin-2-yl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-[4-fluoro-6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-1,3,5-triazin-2-yl]-3,4-dihydro-2H-quinoline (CID 118857317) is 1-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-[4-fluoro-6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-1,3,5-triazin-2-yl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-[4-fluoro-6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-1,3,5-triazin-2-yl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-[4-fluoro-6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-1,3,5-triazin-2-yl]-3,4-dihydro-2H-quinoline is CC1(C)c2ccc(-c3cc(F)c(-c4nc(N5CCCc6ccccc65)nc(N5CCCc6ccccc65)n4)cn3)cc2C(C)(C)C1(C)C.
What is the InChIKey of 1-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-[4-fluoro-6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-1,3,5-triazin-2-yl]-3,4-dihydro-2H-quinoline?
The InChIKey is VTEODQSWZZAYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H43FN6/c1-39(2)30-20-19-28(23-31(30)40(3,4)41(39,5)6)33-24-32(42)29(25-43-33)36-44-37(47-21-11-15-26-13-7-9-17-34(26)47)46-38(45-36)48-22-12-16-27-14-8-10-18-35(27)48/h7-10,13-14,17-20,23-25H,11-12,15-16,21-22H2,1-6H3.
What are the key properties of 1-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-[4-fluoro-6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-1,3,5-triazin-2-yl]-3,4-dihydro-2H-quinoline?
1-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-[4-fluoro-6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-1,3,5-triazin-2-yl]-3,4-dihydro-2H-quinoline has a molecular weight of 638.84 g/mol, XLogP of 9.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-[4-fluoro-6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-1,3,5-triazin-2-yl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 118857317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).