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

C14H17NO2 — CID 170194999

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 Namemethyl 3-propyl-2,3-dihydroquinoline-8-carboxylate
PubChem CID170194999
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Namemethyl 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
XLogP1.30
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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).