2-propoxy-5,6,7,8-tetrahydroquinoline-3-carboxamide

C13H18N2O2 — CID 3075004

IUPAC2-propoxy-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCCCOc1nc2c(cc1C(N)=O)CCCC2
InChIInChI=1S/C13H18N2O2/c1-2-7-17-13-10(12(14)16)8-9-5-3-4-6-11(9)15-13/h8H,2-7H2,1H3,(H2,14,16)
InChIKeyCPBCPFMDQVQDSI-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.85
Rot. Bonds4

About 2-propoxy-5,6,7,8-tetrahydroquinoline-3-carboxamide

2-propoxy-5,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 3075004) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-propoxy-5,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name2-propoxy-5,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID3075004
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-propoxy-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCCCOc1nc2c(cc1C(N)=O)CCCC2
InChIInChI=1S/C13H18N2O2/c1-2-7-17-13-10(12(14)16)8-9-5-3-4-6-11(9)15-13/h8H,2-7H2,1H3,(H2,14,16)
InChIKeyCPBCPFMDQVQDSI-UHFFFAOYSA-N
XLogP1.85
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propoxy-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of 2-propoxy-5,6,7,8-tetrahydroquinoline-3-carboxamide (CID 3075004) is 2-propoxy-5,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for 2-propoxy-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for 2-propoxy-5,6,7,8-tetrahydroquinoline-3-carboxamide is CCCOc1nc2c(cc1C(N)=O)CCCC2.
What is the InChIKey of 2-propoxy-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is CPBCPFMDQVQDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-7-17-13-10(12(14)16)8-9-5-3-4-6-11(9)15-13/h8H,2-7H2,1H3,(H2,14,16).
What are the key properties of 2-propoxy-5,6,7,8-tetrahydroquinoline-3-carboxamide?
2-propoxy-5,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-5,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 3075004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).