N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-4-methylcyclohexane-1-carboxamide

C21H30N2O2 — CID 131682231

IUPACN-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NC2CCc3c(ccc(=O)n3CC3CC3)C2)CC1
InChIInChI=1S/C21H30N2O2/c1-14-2-6-16(7-3-14)21(25)22-18-9-10-19-17(12-18)8-11-20(24)23(19)13-15-4-5-15/h8,11,14-16,18H,2-7,9-10,12-13H2,1H3,(H,22,25)
InChIKeyPZSAQEZNYYKHBG-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.06
Rot. Bonds4

About N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-4-methylcyclohexane-1-carboxamide

N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-4-methylcyclohexane-1-carboxamide (PubChem CID 131682231) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-4-methylcyclohexane-1-carboxamide
PubChem CID131682231
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC NameN-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NC2CCc3c(ccc(=O)n3CC3CC3)C2)CC1
InChIInChI=1S/C21H30N2O2/c1-14-2-6-16(7-3-14)21(25)22-18-9-10-19-17(12-18)8-11-20(24)23(19)13-15-4-5-15/h8,11,14-16,18H,2-7,9-10,12-13H2,1H3,(H,22,25)
InChIKeyPZSAQEZNYYKHBG-UHFFFAOYSA-N
XLogP3.06
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-4-methylcyclohexane-1-carboxamide with MolForge

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Related Compounds

2-acetamido-N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]acetamide
CID 118738999
N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide
CID 118739005
N-[(6S)-1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]morpholine-4-carboxamide
CID 97406161
N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-1H-pyrrole-3-carboxamide
CID 131683102
N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-(1-hydroxycyclobutyl)acetamide
CID 131683090
1-cyano-N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]cyclopentane-1-carboxamide
CID 131682225
N-[(6R)-1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-thiophen-2-ylacetamide
CID 97389978
3-cyano-N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]benzamide
CID 118740731
N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-3-(1H-pyrrol-2-yl)propanamide
CID 131683006
1-(cyclopropylmethyl)-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one;2,2,2-trifluoroacetic acid
CID 155862722
1,1-dimethyl-3-[(6R)-1-[(6-methyl-2-pyridinyl)methyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]urea
CID 97466772
N-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)benzamide
CID 134076221

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-4-methylcyclohexane-1-carboxamide (CID 131682231) is N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-4-methylcyclohexane-1-carboxamide is CC1CCC(C(=O)NC2CCc3c(ccc(=O)n3CC3CC3)C2)CC1.
What is the InChIKey of N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-4-methylcyclohexane-1-carboxamide?
The InChIKey is PZSAQEZNYYKHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-14-2-6-16(7-3-14)21(25)22-18-9-10-19-17(12-18)8-11-20(24)23(19)13-15-4-5-15/h8,11,14-16,18H,2-7,9-10,12-13H2,1H3,(H,22,25).
What are the key properties of N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-4-methylcyclohexane-1-carboxamide?
N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-4-methylcyclohexane-1-carboxamide has a molecular weight of 342.48 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 131682231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).