N-cyclobutyloxy-5,6,7,8-tetrahydroquinoline-8-carboxamide

C14H18N2O2 — CID 154862038

IUPACN-cyclobutyloxy-5,6,7,8-tetrahydroquinoline-8-carboxamide
SMILESO=C(NOC1CCC1)C1CCCc2cccnc21
InChIInChI=1S/C14H18N2O2/c17-14(16-18-11-6-2-7-11)12-8-1-4-10-5-3-9-15-13(10)12/h3,5,9,11-12H,1-2,4,6-8H2,(H,16,17)
InChIKeyOJLJEDRVOVUWBC-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.10
Rot. Bonds3

About N-cyclobutyloxy-5,6,7,8-tetrahydroquinoline-8-carboxamide

N-cyclobutyloxy-5,6,7,8-tetrahydroquinoline-8-carboxamide (PubChem CID 154862038) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-cyclobutyloxy-5,6,7,8-tetrahydroquinoline-8-carboxamide.

Molecular Properties

Compound NameN-cyclobutyloxy-5,6,7,8-tetrahydroquinoline-8-carboxamide
PubChem CID154862038
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-cyclobutyloxy-5,6,7,8-tetrahydroquinoline-8-carboxamide
SMILESO=C(NOC1CCC1)C1CCCc2cccnc21
InChIInChI=1S/C14H18N2O2/c17-14(16-18-11-6-2-7-11)12-8-1-4-10-5-3-9-15-13(10)12/h3,5,9,11-12H,1-2,4,6-8H2,(H,16,17)
InChIKeyOJLJEDRVOVUWBC-UHFFFAOYSA-N
XLogP2.10
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid
CID 130855424
3-amino-2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 116612266
3-cyclohexyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one
CID 115782065
4-(methylamino)-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 116555632
(8R)-N-[(2R)-2-cyano-3,3-dimethylbutan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 124851984
3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one
CID 79745653
(2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 79746265
4-chloro-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 79745424
N-cyclobutyloxy-4,5,6,7-tetrahydro-2H-benzotriazole-4-carboxamide
CID 166244619
(2-methyl-3-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 105114230
2-methylsulfonyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 115782115
(5-amino-1H-pyrazol-4-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 79745963

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyloxy-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The IUPAC name of N-cyclobutyloxy-5,6,7,8-tetrahydroquinoline-8-carboxamide (CID 154862038) is N-cyclobutyloxy-5,6,7,8-tetrahydroquinoline-8-carboxamide.
What is the SMILES notation for N-cyclobutyloxy-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The canonical SMILES for N-cyclobutyloxy-5,6,7,8-tetrahydroquinoline-8-carboxamide is O=C(NOC1CCC1)C1CCCc2cccnc21.
What is the InChIKey of N-cyclobutyloxy-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The InChIKey is OJLJEDRVOVUWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-14(16-18-11-6-2-7-11)12-8-1-4-10-5-3-9-15-13(10)12/h3,5,9,11-12H,1-2,4,6-8H2,(H,16,17).
What are the key properties of N-cyclobutyloxy-5,6,7,8-tetrahydroquinoline-8-carboxamide?
N-cyclobutyloxy-5,6,7,8-tetrahydroquinoline-8-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyloxy-5,6,7,8-tetrahydroquinoline-8-carboxamide is sourced from PubChem (CID 154862038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).