MHXDVBBIYNONEV-JXHRLWIKSA-N

Name: MHXDVBBIYNONEV-JXHRLWIKSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₄H₂₄Cl₂F₃NO₄ — CID 151069829

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACethyl (2R,4R)-4-[(1S)-1-(3,5-dichlorophenyl)-2-methoxy-2-oxoethyl]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-1H-quinoline-2-carboxylate

SMILESCCOC(=O)[C@@]1(CC)C[C@H]([C@H](C(=O)OC)c2cc(Cl)cc(Cl)c2)c2cc(C(F)(F)F)ccc2N1

InChIInChI=1S/C24H24Cl2F3NO4/c1-4-23(22(32)34-5-2)12-18(17-10-14(24(27,28)29)6-7-19(17)30-23)20(21(31)33-3)13-8-15(25)11-16(26)9-13/h6-11,18,20,30H,4-5,12H2,1-3H3/t18-,20+,23+/m0/s1

InChIKeyMHXDVBBIYNONEV-JXHRLWIKSA-N

MW518.36 g/mol

LogP6.58

Rot. Bonds6

About MHXDVBBIYNONEV-JXHRLWIKSA-N

MHXDVBBIYNONEV-JXHRLWIKSA-N (PubChem CID 151069829) has the molecular formula C₂₄H₂₄Cl₂F₃NO₄ and a molecular weight of 518.36 g/mol. Its IUPAC name is ethyl (2R,4R)-4-[(1S)-1-(3,5-dichlorophenyl)-2-methoxy-2-oxoethyl]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-1H-quinoline-2-carboxylate.

Molecular Properties

Compound Name	MHXDVBBIYNONEV-JXHRLWIKSA-N
PubChem CID	151069829
Molecular Formula	C₂₄H₂₄Cl₂F₃NO₄
Molecular Weight	518.36 g/mol
Exact Mass	517.10
IUPAC Name	ethyl (2R,4R)-4-[(1S)-1-(3,5-dichlorophenyl)-2-methoxy-2-oxoethyl]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-1H-quinoline-2-carboxylate
SMILES	CCOC(=O)[C@@]1(CC)C[C@H]([C@H](C(=O)OC)c2cc(Cl)cc(Cl)c2)c2cc(C(F)(F)F)ccc2N1
InChI	InChI=1S/C24H24Cl2F3NO4/c1-4-23(22(32)34-5-2)12-18(17-10-14(24(27,28)29)6-7-19(17)30-23)20(21(31)33-3)13-8-15(25)11-16(26)9-13/h6-11,18,20,30H,4-5,12H2,1-3H3/t18-,20+,23+/m0/s1
InChIKey	MHXDVBBIYNONEV-JXHRLWIKSA-N
XLogP	6.58
TPSA	64.63 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	6
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.36
LogP ≤ 5	6.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of MHXDVBBIYNONEV-JXHRLWIKSA-N?

The IUPAC name of MHXDVBBIYNONEV-JXHRLWIKSA-N (CID 151069829) is ethyl (2R,4R)-4-[(1S)-1-(3,5-dichlorophenyl)-2-methoxy-2-oxoethyl]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-1H-quinoline-2-carboxylate.

What is the SMILES notation for MHXDVBBIYNONEV-JXHRLWIKSA-N?

The canonical SMILES for MHXDVBBIYNONEV-JXHRLWIKSA-N is CCOC(=O)[C@@]1(CC)C[C@H]([C@H](C(=O)OC)c2cc(Cl)cc(Cl)c2)c2cc(C(F)(F)F)ccc2N1.

What is the InChIKey of MHXDVBBIYNONEV-JXHRLWIKSA-N?

The InChIKey is MHXDVBBIYNONEV-JXHRLWIKSA-N. The full InChI is InChI=1S/C24H24Cl2F3NO4/c1-4-23(22(32)34-5-2)12-18(17-10-14(24(27,28)29)6-7-19(17)30-23)20(21(31)33-3)13-8-15(25)11-16(26)9-13/h6-11,18,20,30H,4-5,12H2,1-3H3/t18-,20+,23+/m0/s1.

What are the key properties of MHXDVBBIYNONEV-JXHRLWIKSA-N?

MHXDVBBIYNONEV-JXHRLWIKSA-N has a molecular weight of 518.36 g/mol, XLogP of 6.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for MHXDVBBIYNONEV-JXHRLWIKSA-N is sourced from PubChem (CID 151069829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 151069829 — identifiers, structure, computed properties (public domain)

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