SNAWTXCSDVYOFJ-UHFFFAOYSA-N

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

C₁₉H₂₁NO₅ — CID 118251739

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

IUPAC9,10-dimethoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

SMILESCOc1cc2c(cc1OC)-c1cc(=O)c(C(=O)O)cn1C(C(C)C)C2

InChIInChI=1S/C19H21NO5/c1-10(2)14-5-11-6-17(24-3)18(25-4)7-12(11)15-8-16(21)13(19(22)23)9-20(14)15/h6-10,14H,5H2,1-4H3,(H,22,23)

InChIKeySNAWTXCSDVYOFJ-UHFFFAOYSA-N

MW343.38 g/mol

LogP2.98

Rot. Bonds4

About SNAWTXCSDVYOFJ-UHFFFAOYSA-N

SNAWTXCSDVYOFJ-UHFFFAOYSA-N (PubChem CID 118251739) has the molecular formula C₁₉H₂₁NO₅ and a molecular weight of 343.38 g/mol. Its IUPAC name is 9,10-dimethoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid.

Molecular Properties

Compound Name	SNAWTXCSDVYOFJ-UHFFFAOYSA-N
PubChem CID	118251739
Molecular Formula	C₁₉H₂₁NO₅
Molecular Weight	343.38 g/mol
Exact Mass	343.14
IUPAC Name	9,10-dimethoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
SMILES	COc1cc2c(cc1OC)-c1cc(=O)c(C(=O)O)cn1C(C(C)C)C2
InChI	InChI=1S/C19H21NO5/c1-10(2)14-5-11-6-17(24-3)18(25-4)7-12(11)15-8-16(21)13(19(22)23)9-20(14)15/h6-10,14H,5H2,1-4H3,(H,22,23)
InChIKey	SNAWTXCSDVYOFJ-UHFFFAOYSA-N
XLogP	2.98
TPSA	77.76 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	4
Heavy Atoms	25
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.38
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of SNAWTXCSDVYOFJ-UHFFFAOYSA-N?

The IUPAC name of SNAWTXCSDVYOFJ-UHFFFAOYSA-N (CID 118251739) is 9,10-dimethoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid.

What is the SMILES notation for SNAWTXCSDVYOFJ-UHFFFAOYSA-N?

The canonical SMILES for SNAWTXCSDVYOFJ-UHFFFAOYSA-N is COc1cc2c(cc1OC)-c1cc(=O)c(C(=O)O)cn1C(C(C)C)C2.

What is the InChIKey of SNAWTXCSDVYOFJ-UHFFFAOYSA-N?

The InChIKey is SNAWTXCSDVYOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-10(2)14-5-11-6-17(24-3)18(25-4)7-12(11)15-8-16(21)13(19(22)23)9-20(14)15/h6-10,14H,5H2,1-4H3,(H,22,23).

What are the key properties of SNAWTXCSDVYOFJ-UHFFFAOYSA-N?

SNAWTXCSDVYOFJ-UHFFFAOYSA-N has a molecular weight of 343.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for SNAWTXCSDVYOFJ-UHFFFAOYSA-N is sourced from PubChem (CID 118251739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 118251739 — identifiers, structure, computed properties (public domain)

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