N-(3-ethylpentan-2-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide

C17H26N2O — CID 63837289

IUPACN-(3-ethylpentan-2-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESCCC(CC)C(C)NC(=O)c1cccc2c1CCCN2
InChIInChI=1S/C17H26N2O/c1-4-13(5-2)12(3)19-17(20)15-8-6-10-16-14(15)9-7-11-18-16/h6,8,10,12-13,18H,4-5,7,9,11H2,1-3H3,(H,19,20)
InChIKeyWCIHICHGIRZRHS-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.60
Rot. Bonds5

About N-(3-ethylpentan-2-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide

N-(3-ethylpentan-2-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide (PubChem CID 63837289) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(3-ethylpentan-2-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide.

Molecular Properties

Compound NameN-(3-ethylpentan-2-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
PubChem CID63837289
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(3-ethylpentan-2-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESCCC(CC)C(C)NC(=O)c1cccc2c1CCCN2
InChIInChI=1S/C17H26N2O/c1-4-13(5-2)12(3)19-17(20)15-8-6-10-16-14(15)9-7-11-18-16/h6,8,10,12-13,18H,4-5,7,9,11H2,1-3H3,(H,19,20)
InChIKeyWCIHICHGIRZRHS-UHFFFAOYSA-N
XLogP3.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-2-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The IUPAC name of N-(3-ethylpentan-2-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide (CID 63837289) is N-(3-ethylpentan-2-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide.
What is the SMILES notation for N-(3-ethylpentan-2-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The canonical SMILES for N-(3-ethylpentan-2-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide is CCC(CC)C(C)NC(=O)c1cccc2c1CCCN2.
What is the InChIKey of N-(3-ethylpentan-2-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The InChIKey is WCIHICHGIRZRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-13(5-2)12(3)19-17(20)15-8-6-10-16-14(15)9-7-11-18-16/h6,8,10,12-13,18H,4-5,7,9,11H2,1-3H3,(H,19,20).
What are the key properties of N-(3-ethylpentan-2-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide?
N-(3-ethylpentan-2-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-2-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide is sourced from PubChem (CID 63837289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).