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

C22H29N3O2 — CID 142275755

IUPAC1-(butylamino)-2-oxo-N-(2-phenylethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCCCCNn1c2c(cc(C(=O)NCCc3ccccc3)c1=O)CCCC2
InChIInChI=1S/C22H29N3O2/c1-2-3-14-24-25-20-12-8-7-11-18(20)16-19(22(25)27)21(26)23-15-13-17-9-5-4-6-10-17/h4-6,9-10,16,24H,2-3,7-8,11-15H2,1H3,(H,23,26)
InChIKeyRQUZTLLSDMAYLA-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.04
Rot. Bonds8

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

1-(butylamino)-2-oxo-N-(2-phenylethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 142275755) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-(butylamino)-2-oxo-N-(2-phenylethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name1-(butylamino)-2-oxo-N-(2-phenylethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID142275755
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name1-(butylamino)-2-oxo-N-(2-phenylethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCCCCNn1c2c(cc(C(=O)NCCc3ccccc3)c1=O)CCCC2
InChIInChI=1S/C22H29N3O2/c1-2-3-14-24-25-20-12-8-7-11-18(20)16-19(22(25)27)21(26)23-15-13-17-9-5-4-6-10-17/h4-6,9-10,16,24H,2-3,7-8,11-15H2,1H3,(H,23,26)
InChIKeyRQUZTLLSDMAYLA-UHFFFAOYSA-N
XLogP3.04
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(butylamino)-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-phenylethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 23587792
1-methyl-2-oxo-N-(2-phenylethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 142275684
1-butyl-2-oxo-N-(2-pyridin-4-ylethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 23587711
3-amino-1-(butylamino)-5,6,7,8-tetrahydroquinolin-2-one
CID 142275720
1-butyl-5-ethyl-2-oxo-N-(2-phenylethyl)-6-propylpyridine-3-carboxamide
CID 23587815
1-butyl-2-oxo-N-(pyridin-3-ylmethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 23587717
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-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-methylphenyl)methyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 23587722
1-methyl-2-oxo-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 74245133
1-butyl-N-[(4-methoxyphenyl)methyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 23587757
3-oxo-N-(2-phenylethyl)-8-thia-2,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),4,6-triene-4-carboxamide
CID 53029324

Frequently Asked Questions

What is the IUPAC name of 1-(butylamino)-2-oxo-N-(2-phenylethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of 1-(butylamino)-2-oxo-N-(2-phenylethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide (CID 142275755) is 1-(butylamino)-2-oxo-N-(2-phenylethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for 1-(butylamino)-2-oxo-N-(2-phenylethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for 1-(butylamino)-2-oxo-N-(2-phenylethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide is CCCCNn1c2c(cc(C(=O)NCCc3ccccc3)c1=O)CCCC2.
What is the InChIKey of 1-(butylamino)-2-oxo-N-(2-phenylethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is RQUZTLLSDMAYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-2-3-14-24-25-20-12-8-7-11-18(20)16-19(22(25)27)21(26)23-15-13-17-9-5-4-6-10-17/h4-6,9-10,16,24H,2-3,7-8,11-15H2,1H3,(H,23,26).
What are the key properties of 1-(butylamino)-2-oxo-N-(2-phenylethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide?
1-(butylamino)-2-oxo-N-(2-phenylethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butylamino)-2-oxo-N-(2-phenylethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 142275755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).