FCLZLUASTSLPQP-FQEVSTJZSA-N

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

C₂₇H₂₀F₅N₃O₄ — CID 146614487

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

IUPAC(2S)-2-[(2,6-difluorobenzoyl)amino]-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]quinolin-5-yl]propanoic acid

SMILESCc1cc(C(F)(F)F)c(-c2ccc(C[C@H](NC(=O)c3c(F)cccc3F)C(=O)O)c3cccnc23)c(=O)n1C

InChIInChI=1S/C27H20F5N3O4/c1-13-11-17(27(30,31)32)21(25(37)35(13)2)16-9-8-14(15-5-4-10-33-23(15)16)12-20(26(38)39)34-24(36)22-18(28)6-3-7-19(22)29/h3-11,20H,12H2,1-2H3,(H,34,36)(H,38,39)/t20-/m0/s1

InChIKeyFCLZLUASTSLPQP-FQEVSTJZSA-N

MW545.46 g/mol

LogP4.63

Rot. Bonds6

About FCLZLUASTSLPQP-FQEVSTJZSA-N

FCLZLUASTSLPQP-FQEVSTJZSA-N (PubChem CID 146614487) has the molecular formula C₂₇H₂₀F₅N₃O₄ and a molecular weight of 545.46 g/mol. Its IUPAC name is (2S)-2-[(2,6-difluorobenzoyl)amino]-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]quinolin-5-yl]propanoic acid.

Molecular Properties

Compound Name	FCLZLUASTSLPQP-FQEVSTJZSA-N
PubChem CID	146614487
Molecular Formula	C₂₇H₂₀F₅N₃O₄
Molecular Weight	545.46 g/mol
Exact Mass	545.14
IUPAC Name	(2S)-2-[(2,6-difluorobenzoyl)amino]-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]quinolin-5-yl]propanoic acid
SMILES	Cc1cc(C(F)(F)F)c(-c2ccc(C[C@H](NC(=O)c3c(F)cccc3F)C(=O)O)c3cccnc23)c(=O)n1C
InChI	InChI=1S/C27H20F5N3O4/c1-13-11-17(27(30,31)32)21(25(37)35(13)2)16-9-8-14(15-5-4-10-33-23(15)16)12-20(26(38)39)34-24(36)22-18(28)6-3-7-19(22)29/h3-11,20H,12H2,1-2H3,(H,34,36)(H,38,39)/t20-/m0/s1
InChIKey	FCLZLUASTSLPQP-FQEVSTJZSA-N
XLogP	4.63
TPSA	101.29 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	6
Heavy Atoms	39
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	545.46
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of FCLZLUASTSLPQP-FQEVSTJZSA-N?

The IUPAC name of FCLZLUASTSLPQP-FQEVSTJZSA-N (CID 146614487) is (2S)-2-[(2,6-difluorobenzoyl)amino]-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]quinolin-5-yl]propanoic acid.

What is the SMILES notation for FCLZLUASTSLPQP-FQEVSTJZSA-N?

The canonical SMILES for FCLZLUASTSLPQP-FQEVSTJZSA-N is Cc1cc(C(F)(F)F)c(-c2ccc(C[C@H](NC(=O)c3c(F)cccc3F)C(=O)O)c3cccnc23)c(=O)n1C.

What is the InChIKey of FCLZLUASTSLPQP-FQEVSTJZSA-N?

The InChIKey is FCLZLUASTSLPQP-FQEVSTJZSA-N. The full InChI is InChI=1S/C27H20F5N3O4/c1-13-11-17(27(30,31)32)21(25(37)35(13)2)16-9-8-14(15-5-4-10-33-23(15)16)12-20(26(38)39)34-24(36)22-18(28)6-3-7-19(22)29/h3-11,20H,12H2,1-2H3,(H,34,36)(H,38,39)/t20-/m0/s1.

What are the key properties of FCLZLUASTSLPQP-FQEVSTJZSA-N?

FCLZLUASTSLPQP-FQEVSTJZSA-N has a molecular weight of 545.46 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for FCLZLUASTSLPQP-FQEVSTJZSA-N is sourced from PubChem (CID 146614487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 146614487 — identifiers, structure, computed properties (public domain)

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