1-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide

C17H20N2O — CID 11579880

IUPAC1-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide
SMILESCC1(C(=O)Nc2cnc3ccccc3c2)CCCCC1
InChIInChI=1S/C17H20N2O/c1-17(9-5-2-6-10-17)16(20)19-14-11-13-7-3-4-8-15(13)18-12-14/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3,(H,19,20)
InChIKeyQEGMBWCIJOCBHF-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.14
Rot. Bonds2

About 1-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide

1-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide (PubChem CID 11579880) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide
PubChem CID11579880
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide
SMILESCC1(C(=O)Nc2cnc3ccccc3c2)CCCCC1
InChIInChI=1S/C17H20N2O/c1-17(9-5-2-6-10-17)16(20)19-14-11-13-7-3-4-8-15(13)18-12-14/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3,(H,19,20)
InChIKeyQEGMBWCIJOCBHF-UHFFFAOYSA-N
XLogP4.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide?
The IUPAC name of 1-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide (CID 11579880) is 1-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide?
The canonical SMILES for 1-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide is CC1(C(=O)Nc2cnc3ccccc3c2)CCCCC1.
What is the InChIKey of 1-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide?
The InChIKey is QEGMBWCIJOCBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-17(9-5-2-6-10-17)16(20)19-14-11-13-7-3-4-8-15(13)18-12-14/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3,(H,19,20).
What are the key properties of 1-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide?
1-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 11579880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).