1-butyl-2-oxo-N-(2-phenylethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide

C22H28N2O2 — CID 23587792

IUPAC1-butyl-2-oxo-N-(2-phenylethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCCCCn1c2c(cc(C(=O)NCCc3ccccc3)c1=O)CCCC2
InChIInChI=1S/C22H28N2O2/c1-2-3-15-24-20-12-8-7-11-18(20)16-19(22(24)26)21(25)23-14-13-17-9-5-4-6-10-17/h4-6,9-10,16H,2-3,7-8,11-15H2,1H3,(H,23,25)
InChIKeyNILYWJJEILQCCK-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.50
Rot. Bonds7

About 1-butyl-2-oxo-N-(2-phenylethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide

1-butyl-2-oxo-N-(2-phenylethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 23587792) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-butyl-2-oxo-N-(2-phenylethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name1-butyl-2-oxo-N-(2-phenylethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID23587792
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name1-butyl-2-oxo-N-(2-phenylethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCCCCn1c2c(cc(C(=O)NCCc3ccccc3)c1=O)CCCC2
InChIInChI=1S/C22H28N2O2/c1-2-3-15-24-20-12-8-7-11-18(20)16-19(22(24)26)21(25)23-14-13-17-9-5-4-6-10-17/h4-6,9-10,16H,2-3,7-8,11-15H2,1H3,(H,23,25)
InChIKeyNILYWJJEILQCCK-UHFFFAOYSA-N
XLogP3.50
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-butyl-2-oxo-N-(2-phenylethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide with MolForge

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Related Compounds

1-butyl-2-oxo-N-(2-pyridin-4-ylethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 23587711
1-methyl-2-oxo-N-(2-phenylethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 142275684
1-(butylamino)-2-oxo-N-(2-phenylethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 142275755
1-butyl-N-[(4-methylphenyl)methyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 23587722
1-butyl-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 67523007
1-butyl-2-oxo-N-(pyridin-3-ylmethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 23587717
1-butyl-N-(1-hydroxy-3-phenylpropan-2-yl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 77306566
1-butyl-N-[(4-methoxyphenyl)methyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 23587757
1-butyl-5-ethyl-2-oxo-N-(2-phenylethyl)-6-propylpyridine-3-carboxamide
CID 23587815
methyl (2R)-2-[(1-butyl-2-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonyl)amino]-2-phenylacetate
CID 69475107
1-[(1-butyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 70696000
(2S)-2-[(1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)amino]-3-methylbutanoic acid
CID 69475515

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-oxo-N-(2-phenylethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of 1-butyl-2-oxo-N-(2-phenylethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide (CID 23587792) is 1-butyl-2-oxo-N-(2-phenylethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for 1-butyl-2-oxo-N-(2-phenylethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for 1-butyl-2-oxo-N-(2-phenylethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide is CCCCn1c2c(cc(C(=O)NCCc3ccccc3)c1=O)CCCC2.
What is the InChIKey of 1-butyl-2-oxo-N-(2-phenylethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is NILYWJJEILQCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-2-3-15-24-20-12-8-7-11-18(20)16-19(22(24)26)21(25)23-14-13-17-9-5-4-6-10-17/h4-6,9-10,16H,2-3,7-8,11-15H2,1H3,(H,23,25).
What are the key properties of 1-butyl-2-oxo-N-(2-phenylethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide?
1-butyl-2-oxo-N-(2-phenylethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-oxo-N-(2-phenylethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 23587792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).