1-butyl-N-cyclopentyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide

C19H28N2O2 — CID 23587853

IUPAC1-butyl-N-cyclopentyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCCCCn1c2c(cc(C(=O)NC3CCCC3)c1=O)CCCC2
InChIInChI=1S/C19H28N2O2/c1-2-3-12-21-17-11-7-4-8-14(17)13-16(19(21)23)18(22)20-15-9-5-6-10-15/h13,15H,2-12H2,1H3,(H,20,22)
InChIKeyCQGLNMWSYZVLJT-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.20
Rot. Bonds5

About 1-butyl-N-cyclopentyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide

1-butyl-N-cyclopentyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 23587853) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 1-butyl-N-cyclopentyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-cyclopentyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID23587853
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Name1-butyl-N-cyclopentyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCCCCn1c2c(cc(C(=O)NC3CCCC3)c1=O)CCCC2
InChIInChI=1S/C19H28N2O2/c1-2-3-12-21-17-11-7-4-8-14(17)13-16(19(21)23)18(22)20-15-9-5-6-10-15/h13,15H,2-12H2,1H3,(H,20,22)
InChIKeyCQGLNMWSYZVLJT-UHFFFAOYSA-N
XLogP3.20
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-cyclopentyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of 1-butyl-N-cyclopentyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide (CID 23587853) is 1-butyl-N-cyclopentyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for 1-butyl-N-cyclopentyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for 1-butyl-N-cyclopentyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide is CCCCn1c2c(cc(C(=O)NC3CCCC3)c1=O)CCCC2.
What is the InChIKey of 1-butyl-N-cyclopentyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is CQGLNMWSYZVLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-2-3-12-21-17-11-7-4-8-14(17)13-16(19(21)23)18(22)20-15-9-5-6-10-15/h13,15H,2-12H2,1H3,(H,20,22).
What are the key properties of 1-butyl-N-cyclopentyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide?
1-butyl-N-cyclopentyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-cyclopentyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 23587853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).