Elvitegravir

Name: Elvitegravir — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₃H₂₃ClFNO₅ — CID 5277135

💊View drug profile → elvitegravir

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

IUPAC6-[(3-chloro-2-fluorophenyl)methyl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinoline-3-carboxylic acid

SMILESCOc1cc2c(cc1Cc1cccc(Cl)c1F)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C

InChIInChI=1S/C23H23ClFNO5/c1-12(2)19(11-27)26-10-16(23(29)30)22(28)15-8-14(20(31-3)9-18(15)26)7-13-5-4-6-17(24)21(13)25/h4-6,8-10,12,19,27H,7,11H2,1-3H3,(H,29,30)/t19-/m1/s1

InChIKeyJUZYLCPPVHEVSV-LJQANCHMSA-N

MW447.89 g/mol

LogP4.28

Rot. Bonds7

About Elvitegravir

Elvitegravir (PubChem CID 5277135) has the molecular formula C₂₃H₂₃ClFNO₅ and a molecular weight of 447.89 g/mol. Its IUPAC name is 6-[(3-chloro-2-fluorophenyl)methyl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name	Elvitegravir
PubChem CID	5277135
Molecular Formula	C₂₃H₂₃ClFNO₅
Molecular Weight	447.89 g/mol
Exact Mass	447.12
IUPAC Name	6-[(3-chloro-2-fluorophenyl)methyl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinoline-3-carboxylic acid
SMILES	COc1cc2c(cc1Cc1cccc(Cl)c1F)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C
InChI	InChI=1S/C23H23ClFNO5/c1-12(2)19(11-27)26-10-16(23(29)30)22(28)15-8-14(20(31-3)9-18(15)26)7-13-5-4-6-17(24)21(13)25/h4-6,8-10,12,19,27H,7,11H2,1-3H3,(H,29,30)/t19-/m1/s1
InChIKey	JUZYLCPPVHEVSV-LJQANCHMSA-N
XLogP	4.28
TPSA	88.76 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	7
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.89
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Related Compounds

Frequently Asked Questions

What is the IUPAC name of Elvitegravir?

The IUPAC name of Elvitegravir (CID 5277135) is 6-[(3-chloro-2-fluorophenyl)methyl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinoline-3-carboxylic acid.

What is the SMILES notation for Elvitegravir?

The canonical SMILES for Elvitegravir is COc1cc2c(cc1Cc1cccc(Cl)c1F)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C.

What is the InChIKey of Elvitegravir?

The InChIKey is JUZYLCPPVHEVSV-LJQANCHMSA-N. The full InChI is InChI=1S/C23H23ClFNO5/c1-12(2)19(11-27)26-10-16(23(29)30)22(28)15-8-14(20(31-3)9-18(15)26)7-13-5-4-6-17(24)21(13)25/h4-6,8-10,12,19,27H,7,11H2,1-3H3,(H,29,30)/t19-/m1/s1.

What are the key properties of Elvitegravir?

Elvitegravir has a molecular weight of 447.89 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Elvitegravir is sourced from PubChem (CID 5277135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules: E · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 5277135 — identifiers, structure, computed properties (public domain)
DrugCentral drug card 4300 — approved-drug record (CC BY-SA 4.0)

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