Methyl 3-propyl-2,3-dihydroquinoline-8-carboxylate

Name: Methyl 3-propyl-2,3-dihydroquinoline-8-carboxylate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₁₇NO₂ — CID 170194999

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

IUPACmethyl 3-propyl-2,3-dihydroquinoline-8-carboxylate

SMILESCCCC1C=c2cccc(C(=O)OC)c2=NC1

InChIInChI=1S/C14H17NO2/c1-3-5-10-8-11-6-4-7-12(14(16)17-2)13(11)15-9-10/h4,6-8,10H,3,5,9H2,1-2H3

InChIKeySHEAUVQQMKJBQN-UHFFFAOYSA-N

MW231.30 g/mol

LogP1.30

Rot. Bonds3

About Methyl 3-propyl-2,3-dihydroquinoline-8-carboxylate

Methyl 3-propyl-2,3-dihydroquinoline-8-carboxylate (PubChem CID 170194999) has the molecular formula C₁₄H₁₇NO₂ and a molecular weight of 231.30 g/mol. Its IUPAC name is methyl 3-propyl-2,3-dihydroquinoline-8-carboxylate.

Molecular Properties

Compound Name	Methyl 3-propyl-2,3-dihydroquinoline-8-carboxylate
PubChem CID	170194999
Molecular Formula	C₁₄H₁₇NO₂
Molecular Weight	231.30 g/mol
Exact Mass	231.13
IUPAC Name	methyl 3-propyl-2,3-dihydroquinoline-8-carboxylate
SMILES	CCCC1C=c2cccc(C(=O)OC)c2=NC1
InChI	InChI=1S/C14H17NO2/c1-3-5-10-8-11-6-4-7-12(14(16)17-2)13(11)15-9-10/h4,6-8,10H,3,5,9H2,1-2H3
InChIKey	SHEAUVQQMKJBQN-UHFFFAOYSA-N
XLogP	1.30
TPSA	38.66 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	3
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	231.30
LogP ≤ 5	1.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Methyl 3-propyl-2,3-dihydroquinoline-8-carboxylate?

The IUPAC name of Methyl 3-propyl-2,3-dihydroquinoline-8-carboxylate (CID 170194999) is methyl 3-propyl-2,3-dihydroquinoline-8-carboxylate.

What is the SMILES notation for Methyl 3-propyl-2,3-dihydroquinoline-8-carboxylate?

The canonical SMILES for Methyl 3-propyl-2,3-dihydroquinoline-8-carboxylate is CCCC1C=c2cccc(C(=O)OC)c2=NC1.

What is the InChIKey of Methyl 3-propyl-2,3-dihydroquinoline-8-carboxylate?

The InChIKey is SHEAUVQQMKJBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-3-5-10-8-11-6-4-7-12(14(16)17-2)13(11)15-9-10/h4,6-8,10H,3,5,9H2,1-2H3.

What are the key properties of Methyl 3-propyl-2,3-dihydroquinoline-8-carboxylate?

Methyl 3-propyl-2,3-dihydroquinoline-8-carboxylate has a molecular weight of 231.30 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl 3-propyl-2,3-dihydroquinoline-8-carboxylate is sourced from PubChem (CID 170194999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 170194999 — identifiers, structure, computed properties (public domain)

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