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

C21H21N3O2 — CID 118740731

IUPAC3-cyano-N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]benzamide
SMILESN#Cc1cccc(C(=O)NC2CCc3c(ccc(=O)n3CC3CC3)C2)c1
InChIInChI=1S/C21H21N3O2/c22-12-15-2-1-3-17(10-15)21(26)23-18-7-8-19-16(11-18)6-9-20(25)24(19)13-14-4-5-14/h1-3,6,9-10,14,18H,4-5,7-8,11,13H2,(H,23,26)
InChIKeySDGXBSAKPZGTQF-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.42
Rot. Bonds4

About 3-cyano-N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]benzamide

3-cyano-N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]benzamide (PubChem CID 118740731) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 3-cyano-N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]benzamide
PubChem CID118740731
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name3-cyano-N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]benzamide
SMILESN#Cc1cccc(C(=O)NC2CCc3c(ccc(=O)n3CC3CC3)C2)c1
InChIInChI=1S/C21H21N3O2/c22-12-15-2-1-3-17(10-15)21(26)23-18-7-8-19-16(11-18)6-9-20(25)24(19)13-14-4-5-14/h1-3,6,9-10,14,18H,4-5,7-8,11,13H2,(H,23,26)
InChIKeySDGXBSAKPZGTQF-UHFFFAOYSA-N
XLogP2.42
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyano-N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]benzamide with MolForge

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Related Compounds

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
3-cyano-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 60630273
N-[(6S)-1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]morpholine-4-carboxamide
CID 97406161
N-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)benzamide
CID 134076221
2-acetamido-N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]acetamide
CID 118738999
3-cyano-N-(6-oxopiperidin-3-yl)benzamide
CID 62491080
N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-(1-hydroxycyclobutyl)acetamide
CID 131683090
N-[(6S)-1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide
CID 97389930
N-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-1H-pyrrole-3-carboxamide
CID 131682929
3-cyano-N-(2-oxoazepan-4-yl)benzamide
CID 19090425
N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-3-cyanobenzamide
CID 95334504

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]benzamide?
The IUPAC name of 3-cyano-N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]benzamide (CID 118740731) is 3-cyano-N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]benzamide?
The canonical SMILES for 3-cyano-N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]benzamide is N#Cc1cccc(C(=O)NC2CCc3c(ccc(=O)n3CC3CC3)C2)c1.
What is the InChIKey of 3-cyano-N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]benzamide?
The InChIKey is SDGXBSAKPZGTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c22-12-15-2-1-3-17(10-15)21(26)23-18-7-8-19-16(11-18)6-9-20(25)24(19)13-14-4-5-14/h1-3,6,9-10,14,18H,4-5,7-8,11,13H2,(H,23,26).
What are the key properties of 3-cyano-N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]benzamide?
3-cyano-N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]benzamide has a molecular weight of 347.42 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]benzamide is sourced from PubChem (CID 118740731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).