1-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-2-oxo-3,4-dihydroquinoline-7-carboxamide

C26H24ClF3N4O2 — CID 163267233

IUPAC1-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-2-oxo-3,4-dihydroquinoline-7-carboxamide
SMILESNC(=O)c1ccc2c(c1)N(C1CCC(Nc3cc(C(F)(F)F)nc4ccc(Cl)cc34)CC1)C(=O)CC2
InChIInChI=1S/C26H24ClF3N4O2/c27-16-4-9-20-19(12-16)21(13-23(33-20)26(28,29)30)32-17-5-7-18(8-6-17)34-22-11-15(25(31)36)2-1-14(22)3-10-24(34)35/h1-2,4,9,11-13,17-18H,3,5-8,10H2,(H2,31,36)(H,32,33)
InChIKeyUJBLJEGDGSOFAC-UHFFFAOYSA-N
MW516.95 g/mol
LogP5.71
Rot. Bonds4

About 1-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-2-oxo-3,4-dihydroquinoline-7-carboxamide

1-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-2-oxo-3,4-dihydroquinoline-7-carboxamide (PubChem CID 163267233) has the molecular formula C26H24ClF3N4O2 and a molecular weight of 516.95 g/mol. Its IUPAC name is 1-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-2-oxo-3,4-dihydroquinoline-7-carboxamide.

Molecular Properties

Compound Name1-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-2-oxo-3,4-dihydroquinoline-7-carboxamide
PubChem CID163267233
Molecular FormulaC26H24ClF3N4O2
Molecular Weight516.95 g/mol
Exact Mass516.15
IUPAC Name1-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-2-oxo-3,4-dihydroquinoline-7-carboxamide
SMILESNC(=O)c1ccc2c(c1)N(C1CCC(Nc3cc(C(F)(F)F)nc4ccc(Cl)cc34)CC1)C(=O)CC2
InChIInChI=1S/C26H24ClF3N4O2/c27-16-4-9-20-19(12-16)21(13-23(33-20)26(28,29)30)32-17-5-7-18(8-6-17)34-22-11-15(25(31)36)2-1-14(22)3-10-24(34)35/h1-2,4,9,11-13,17-18H,3,5-8,10H2,(H2,31,36)(H,32,33)
InChIKeyUJBLJEGDGSOFAC-UHFFFAOYSA-N
XLogP5.71
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.95
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-2-oxo-3,4-dihydroquinoline-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-2-oxo-3,4-dihydroquinoline-7-carboxamide?
The IUPAC name of 1-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-2-oxo-3,4-dihydroquinoline-7-carboxamide (CID 163267233) is 1-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-2-oxo-3,4-dihydroquinoline-7-carboxamide.
What is the SMILES notation for 1-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-2-oxo-3,4-dihydroquinoline-7-carboxamide?
The canonical SMILES for 1-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-2-oxo-3,4-dihydroquinoline-7-carboxamide is NC(=O)c1ccc2c(c1)N(C1CCC(Nc3cc(C(F)(F)F)nc4ccc(Cl)cc34)CC1)C(=O)CC2.
What is the InChIKey of 1-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-2-oxo-3,4-dihydroquinoline-7-carboxamide?
The InChIKey is UJBLJEGDGSOFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClF3N4O2/c27-16-4-9-20-19(12-16)21(13-23(33-20)26(28,29)30)32-17-5-7-18(8-6-17)34-22-11-15(25(31)36)2-1-14(22)3-10-24(34)35/h1-2,4,9,11-13,17-18H,3,5-8,10H2,(H2,31,36)(H,32,33).
What are the key properties of 1-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-2-oxo-3,4-dihydroquinoline-7-carboxamide?
1-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-2-oxo-3,4-dihydroquinoline-7-carboxamide has a molecular weight of 516.95 g/mol, XLogP of 5.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-2-oxo-3,4-dihydroquinoline-7-carboxamide is sourced from PubChem (CID 163267233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).