N-[2-(diethylamino)-4-methylquinolin-6-yl]-4-methylcyclohexane-1-carboxamide

C22H31N3O — CID 16759189

IUPACN-[2-(diethylamino)-4-methylquinolin-6-yl]-4-methylcyclohexane-1-carboxamide
SMILESCCN(CC)c1cc(C)c2cc(NC(=O)C3CCC(C)CC3)ccc2n1
InChIInChI=1S/C22H31N3O/c1-5-25(6-2)21-13-16(4)19-14-18(11-12-20(19)24-21)23-22(26)17-9-7-15(3)8-10-17/h11-15,17H,5-10H2,1-4H3,(H,23,26)
InChIKeyPHNMAUWYEMWSDZ-UHFFFAOYSA-N
MW353.51 g/mol
LogP5.15
Rot. Bonds5

About N-[2-(diethylamino)-4-methylquinolin-6-yl]-4-methylcyclohexane-1-carboxamide

N-[2-(diethylamino)-4-methylquinolin-6-yl]-4-methylcyclohexane-1-carboxamide (PubChem CID 16759189) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is N-[2-(diethylamino)-4-methylquinolin-6-yl]-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-4-methylquinolin-6-yl]-4-methylcyclohexane-1-carboxamide
PubChem CID16759189
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC NameN-[2-(diethylamino)-4-methylquinolin-6-yl]-4-methylcyclohexane-1-carboxamide
SMILESCCN(CC)c1cc(C)c2cc(NC(=O)C3CCC(C)CC3)ccc2n1
InChIInChI=1S/C22H31N3O/c1-5-25(6-2)21-13-16(4)19-14-18(11-12-20(19)24-21)23-22(26)17-9-7-15(3)8-10-17/h11-15,17H,5-10H2,1-4H3,(H,23,26)
InChIKeyPHNMAUWYEMWSDZ-UHFFFAOYSA-N
XLogP5.15
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-4-methylquinolin-6-yl]-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[2-(diethylamino)-4-methylquinolin-6-yl]-4-methylcyclohexane-1-carboxamide (CID 16759189) is N-[2-(diethylamino)-4-methylquinolin-6-yl]-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-4-methylquinolin-6-yl]-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-4-methylquinolin-6-yl]-4-methylcyclohexane-1-carboxamide is CCN(CC)c1cc(C)c2cc(NC(=O)C3CCC(C)CC3)ccc2n1.
What is the InChIKey of N-[2-(diethylamino)-4-methylquinolin-6-yl]-4-methylcyclohexane-1-carboxamide?
The InChIKey is PHNMAUWYEMWSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-5-25(6-2)21-13-16(4)19-14-18(11-12-20(19)24-21)23-22(26)17-9-7-15(3)8-10-17/h11-15,17H,5-10H2,1-4H3,(H,23,26).
What are the key properties of N-[2-(diethylamino)-4-methylquinolin-6-yl]-4-methylcyclohexane-1-carboxamide?
N-[2-(diethylamino)-4-methylquinolin-6-yl]-4-methylcyclohexane-1-carboxamide has a molecular weight of 353.51 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-4-methylquinolin-6-yl]-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 16759189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).