1-(4-methylphenyl)-N-[8-(2-methylpropoxy)quinolin-5-yl]cyclohexane-1-carboxamide

C27H32N2O2 — CID 100770996

IUPAC1-(4-methylphenyl)-N-[8-(2-methylpropoxy)quinolin-5-yl]cyclohexane-1-carboxamide
SMILESCc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)c4ncccc34)CCCCC2)cc1
InChIInChI=1S/C27H32N2O2/c1-19(2)18-31-24-14-13-23(22-8-7-17-28-25(22)24)29-26(30)27(15-5-4-6-16-27)21-11-9-20(3)10-12-21/h7-14,17,19H,4-6,15-16,18H2,1-3H3,(H,29,30)
InChIKeyQWPDKSKIRQRRMD-UHFFFAOYSA-N
MW416.57 g/mol
LogP6.42
Rot. Bonds6

About 1-(4-methylphenyl)-N-[8-(2-methylpropoxy)quinolin-5-yl]cyclohexane-1-carboxamide

1-(4-methylphenyl)-N-[8-(2-methylpropoxy)quinolin-5-yl]cyclohexane-1-carboxamide (PubChem CID 100770996) has the molecular formula C27H32N2O2 and a molecular weight of 416.57 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[8-(2-methylpropoxy)quinolin-5-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[8-(2-methylpropoxy)quinolin-5-yl]cyclohexane-1-carboxamide
PubChem CID100770996
Molecular FormulaC27H32N2O2
Molecular Weight416.57 g/mol
Exact Mass416.25
IUPAC Name1-(4-methylphenyl)-N-[8-(2-methylpropoxy)quinolin-5-yl]cyclohexane-1-carboxamide
SMILESCc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)c4ncccc34)CCCCC2)cc1
InChIInChI=1S/C27H32N2O2/c1-19(2)18-31-24-14-13-23(22-8-7-17-28-25(22)24)29-26(30)27(15-5-4-6-16-27)21-11-9-20(3)10-12-21/h7-14,17,19H,4-6,15-16,18H2,1-3H3,(H,29,30)
InChIKeyQWPDKSKIRQRRMD-UHFFFAOYSA-N
XLogP6.42
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.57
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-N-[8-(2-methylpropoxy)quinolin-5-yl]cyclopentane-1-carboxamide
CID 100775150
1-(4-chlorophenyl)-N-(8-ethoxyquinolin-5-yl)cyclopentane-1-carboxamide
CID 100770049
N-(8-methoxyquinolin-5-yl)-1-phenylcyclohexane-1-carboxamide
CID 100770558
N-[4-(2-methylpropoxy)naphthalen-1-yl]-1-phenylcyclopentane-1-carboxamide
CID 100719168
1-(4-methoxyphenyl)-N-(8-propan-2-yloxyquinolin-5-yl)cyclopentane-1-carboxamide
CID 100770449
1-(4-methoxyphenyl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclohexane-1-carboxamide
CID 100747706
N-[3-methyl-4-(2-methylpropoxy)phenyl]-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 100672586
N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 100745808
1-(4-chlorophenyl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclopropane-1-carboxamide
CID 100782430
1-(1,3-benzodioxol-5-yl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclopentane-1-carboxamide
CID 100782956
4-(4-chlorophenyl)-N-(8-propoxyquinolin-5-yl)oxane-4-carboxamide
CID 100772965
1-(2,4-dichlorophenyl)-N-(8-propoxyquinolin-5-yl)cyclohexane-1-carboxamide
CID 100771786

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[8-(2-methylpropoxy)quinolin-5-yl]cyclohexane-1-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-N-[8-(2-methylpropoxy)quinolin-5-yl]cyclohexane-1-carboxamide (CID 100770996) is 1-(4-methylphenyl)-N-[8-(2-methylpropoxy)quinolin-5-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-[8-(2-methylpropoxy)quinolin-5-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-N-[8-(2-methylpropoxy)quinolin-5-yl]cyclohexane-1-carboxamide is Cc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)c4ncccc34)CCCCC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[8-(2-methylpropoxy)quinolin-5-yl]cyclohexane-1-carboxamide?
The InChIKey is QWPDKSKIRQRRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O2/c1-19(2)18-31-24-14-13-23(22-8-7-17-28-25(22)24)29-26(30)27(15-5-4-6-16-27)21-11-9-20(3)10-12-21/h7-14,17,19H,4-6,15-16,18H2,1-3H3,(H,29,30).
What are the key properties of 1-(4-methylphenyl)-N-[8-(2-methylpropoxy)quinolin-5-yl]cyclohexane-1-carboxamide?
1-(4-methylphenyl)-N-[8-(2-methylpropoxy)quinolin-5-yl]cyclohexane-1-carboxamide has a molecular weight of 416.57 g/mol, XLogP of 6.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[8-(2-methylpropoxy)quinolin-5-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 100770996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).