4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[6-(trifluoromethyl)quinolin-2-yl]benzamide

C26H18ClF3N2O3 — CID 67426118

IUPAC4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[6-(trifluoromethyl)quinolin-2-yl]benzamide
SMILESO=C(Nc1ccc2cc(C(F)(F)F)ccc2n1)c1ccc(Oc2cc3c(cc2Cl)CCCO3)cc1
InChIInChI=1S/C26H18ClF3N2O3/c27-20-13-17-2-1-11-34-22(17)14-23(20)35-19-7-3-15(4-8-19)25(33)32-24-10-5-16-12-18(26(28,29)30)6-9-21(16)31-24/h3-10,12-14H,1-2,11H2,(H,31,32,33)
InChIKeyJMRMNMKTMWKEOW-UHFFFAOYSA-N
MW498.89 g/mol
LogP7.28
Rot. Bonds4

About 4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[6-(trifluoromethyl)quinolin-2-yl]benzamide

4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[6-(trifluoromethyl)quinolin-2-yl]benzamide (PubChem CID 67426118) has the molecular formula C26H18ClF3N2O3 and a molecular weight of 498.89 g/mol. Its IUPAC name is 4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[6-(trifluoromethyl)quinolin-2-yl]benzamide.

Molecular Properties

Compound Name4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[6-(trifluoromethyl)quinolin-2-yl]benzamide
PubChem CID67426118
Molecular FormulaC26H18ClF3N2O3
Molecular Weight498.89 g/mol
Exact Mass498.10
IUPAC Name4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[6-(trifluoromethyl)quinolin-2-yl]benzamide
SMILESO=C(Nc1ccc2cc(C(F)(F)F)ccc2n1)c1ccc(Oc2cc3c(cc2Cl)CCCO3)cc1
InChIInChI=1S/C26H18ClF3N2O3/c27-20-13-17-2-1-11-34-22(17)14-23(20)35-19-7-3-15(4-8-19)25(33)32-24-10-5-16-12-18(26(28,29)30)6-9-21(16)31-24/h3-10,12-14H,1-2,11H2,(H,31,32,33)
InChIKeyJMRMNMKTMWKEOW-UHFFFAOYSA-N
XLogP7.28
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.89
LogP ≤ 57.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[6-(4-chlorophenyl)-2-pyridinyl]benzamide
CID 67426860
6-chloro-7-[4-[(6-chloroquinolin-2-yl)carbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid
CID 67287361
6-chloro-7-[4-[(6-methoxyquinolin-2-yl)carbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid
CID 67287733
4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[(Z)-4-(2-chlorophenyl)but-3-enyl]benzamide
CID 141337846
6-chloro-7-[4-[[6-(4-chlorophenyl)-5-fluoro-2-pyridinyl]carbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid
CID 67287015
6-chloro-7-[4-[(6-chloroquinoxalin-2-yl)carbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid
CID 46701752
4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[(5-chloro-2,3-dihydro-1H-inden-1-yl)methyl]benzamide
CID 141337853
N-[2-(4-bromo-2-methoxyphenyl)ethyl]-4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]benzamide
CID 141337855
2-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-ylcarbamoyl)-5-(trifluoromethyl)benzoic acid
CID 164606157
N-(7-chloro-3,4-dihydro-2H-chromen-6-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide
CID 166337738
sodium 6,8-dichloro-7-[4-[(6-chloroquinolin-2-yl)carbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylate
CID 67287600
N-(3,4-dihydro-2H-chromen-6-yl)-4-methoxybenzamide
CID 110726170

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[6-(trifluoromethyl)quinolin-2-yl]benzamide?
The IUPAC name of 4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[6-(trifluoromethyl)quinolin-2-yl]benzamide (CID 67426118) is 4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[6-(trifluoromethyl)quinolin-2-yl]benzamide.
What is the SMILES notation for 4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[6-(trifluoromethyl)quinolin-2-yl]benzamide?
The canonical SMILES for 4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[6-(trifluoromethyl)quinolin-2-yl]benzamide is O=C(Nc1ccc2cc(C(F)(F)F)ccc2n1)c1ccc(Oc2cc3c(cc2Cl)CCCO3)cc1.
What is the InChIKey of 4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[6-(trifluoromethyl)quinolin-2-yl]benzamide?
The InChIKey is JMRMNMKTMWKEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClF3N2O3/c27-20-13-17-2-1-11-34-22(17)14-23(20)35-19-7-3-15(4-8-19)25(33)32-24-10-5-16-12-18(26(28,29)30)6-9-21(16)31-24/h3-10,12-14H,1-2,11H2,(H,31,32,33).
What are the key properties of 4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[6-(trifluoromethyl)quinolin-2-yl]benzamide?
4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[6-(trifluoromethyl)quinolin-2-yl]benzamide has a molecular weight of 498.89 g/mol, XLogP of 7.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[6-(trifluoromethyl)quinolin-2-yl]benzamide is sourced from PubChem (CID 67426118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).