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

C14H20N2O2 — CID 3075006

IUPAC2-butoxy-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCCCCOc1nc2c(cc1C(N)=O)CCCC2
InChIInChI=1S/C14H20N2O2/c1-2-3-8-18-14-11(13(15)17)9-10-6-4-5-7-12(10)16-14/h9H,2-8H2,1H3,(H2,15,17)
InChIKeyPJHQNYWOGRNLEA-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.24
Rot. Bonds5

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

2-butoxy-5,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 3075006) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-butoxy-5,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name2-butoxy-5,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID3075006
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-butoxy-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCCCCOc1nc2c(cc1C(N)=O)CCCC2
InChIInChI=1S/C14H20N2O2/c1-2-3-8-18-14-11(13(15)17)9-10-6-4-5-7-12(10)16-14/h9H,2-8H2,1H3,(H2,15,17)
InChIKeyPJHQNYWOGRNLEA-UHFFFAOYSA-N
XLogP2.24
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-butoxy-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of 2-butoxy-5,6,7,8-tetrahydroquinoline-3-carboxamide (CID 3075006) is 2-butoxy-5,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for 2-butoxy-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for 2-butoxy-5,6,7,8-tetrahydroquinoline-3-carboxamide is CCCCOc1nc2c(cc1C(N)=O)CCCC2.
What is the InChIKey of 2-butoxy-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is PJHQNYWOGRNLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-3-8-18-14-11(13(15)17)9-10-6-4-5-7-12(10)16-14/h9H,2-8H2,1H3,(H2,15,17).
What are the key properties of 2-butoxy-5,6,7,8-tetrahydroquinoline-3-carboxamide?
2-butoxy-5,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-5,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 3075006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).