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

C20H25N3O2 — CID 131682225

IUPAC1-cyano-N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)NC2CCc3c(ccc(=O)n3CC3CC3)C2)CCCC1
InChIInChI=1S/C20H25N3O2/c21-13-20(9-1-2-10-20)19(25)22-16-6-7-17-15(11-16)5-8-18(24)23(17)12-14-3-4-14/h5,8,14,16H,1-4,6-7,9-12H2,(H,22,25)
InChIKeyLRHHEYNKXIBLOG-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.32
Rot. Bonds4

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

1-cyano-N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]cyclopentane-1-carboxamide (PubChem CID 131682225) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-cyano-N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]cyclopentane-1-carboxamide
PubChem CID131682225
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-cyano-N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)NC2CCc3c(ccc(=O)n3CC3CC3)C2)CCCC1
InChIInChI=1S/C20H25N3O2/c21-13-20(9-1-2-10-20)19(25)22-16-6-7-17-15(11-16)5-8-18(24)23(17)12-14-3-4-14/h5,8,14,16H,1-4,6-7,9-12H2,(H,22,25)
InChIKeyLRHHEYNKXIBLOG-UHFFFAOYSA-N
XLogP2.32
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-(1-hydroxycyclobutyl)acetamide
CID 131683090
2-acetamido-N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]acetamide
CID 118738999
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]thiophene-3-carboxamide
CID 118739005
N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-1H-pyrrole-3-carboxamide
CID 131683102
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]-3-(1H-pyrrol-2-yl)propanamide
CID 131683006
1-cyano-N-cyclooctylcyclopentane-1-carboxamide
CID 29240923
(6R)-1-(cyclopropylmethyl)-6-[(4,5-dimethylfuran-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one
CID 97464143
1-(cyclopropylmethyl)-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one;2,2,2-trifluoroacetic acid
CID 155862722
N-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)benzamide
CID 134076221
(2S)-N-[(6S)-1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]oxolane-2-carboxamide
CID 97389922

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]cyclopentane-1-carboxamide (CID 131682225) is 1-cyano-N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]cyclopentane-1-carboxamide is N#CC1(C(=O)NC2CCc3c(ccc(=O)n3CC3CC3)C2)CCCC1.
What is the InChIKey of 1-cyano-N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]cyclopentane-1-carboxamide?
The InChIKey is LRHHEYNKXIBLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c21-13-20(9-1-2-10-20)19(25)22-16-6-7-17-15(11-16)5-8-18(24)23(17)12-14-3-4-14/h5,8,14,16H,1-4,6-7,9-12H2,(H,22,25).
What are the key properties of 1-cyano-N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]cyclopentane-1-carboxamide?
1-cyano-N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]cyclopentane-1-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 131682225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).