trans-(1S,3R)-1-methoxy-N-(8-methoxyquinolin-5-yl)-3-methylcyclohexane-1-carboxamide

C19H24N2O3 — CID 100775557

IUPACtrans-(1S,3R)-1-methoxy-N-(8-methoxyquinolin-5-yl)-3-methylcyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)c2cccnc12
InChIInChI=1S/C19H24N2O3/c1-13-6-4-10-19(12-13,24-3)18(22)21-15-8-9-16(23-2)17-14(15)7-5-11-20-17/h5,7-9,11,13H,4,6,10,12H2,1-3H3,(H,21,22)/t13-,19+/m1/s1
InChIKeyMEHAHMFRACNSNT-YJYMSZOUSA-N
MW328.41 g/mol
LogP3.78
Rot. Bonds4

About trans-(1S,3R)-1-methoxy-N-(8-methoxyquinolin-5-yl)-3-methylcyclohexane-1-carboxamide

trans-(1S,3R)-1-methoxy-N-(8-methoxyquinolin-5-yl)-3-methylcyclohexane-1-carboxamide (PubChem CID 100775557) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is trans-(1S,3R)-1-methoxy-N-(8-methoxyquinolin-5-yl)-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,3R)-1-methoxy-N-(8-methoxyquinolin-5-yl)-3-methylcyclohexane-1-carboxamide
PubChem CID100775557
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Nametrans-(1S,3R)-1-methoxy-N-(8-methoxyquinolin-5-yl)-3-methylcyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)c2cccnc12
InChIInChI=1S/C19H24N2O3/c1-13-6-4-10-19(12-13,24-3)18(22)21-15-8-9-16(23-2)17-14(15)7-5-11-20-17/h5,7-9,11,13H,4,6,10,12H2,1-3H3,(H,21,22)/t13-,19+/m1/s1
InChIKeyMEHAHMFRACNSNT-YJYMSZOUSA-N
XLogP3.78
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze trans-(1S,3R)-1-methoxy-N-(8-methoxyquinolin-5-yl)-3-methylcyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1R,3S)-1-methoxy-3-methyl-N-(8-propan-2-yloxyquinolin-5-yl)cyclohexane-1-carboxamide
CID 100775604
trans-(1S,3R)-1-methoxy-3-methyl-N-(8-propan-2-yloxyquinolin-5-yl)cyclohexane-1-carboxamide
CID 100775596
trans-(1S,3R)-1-methoxy-3-methyl-N-(4-propoxynaphthalen-1-yl)cyclohexane-1-carboxamide
CID 100757495
1-methoxy-N-[8-(2-methylpropoxy)quinolin-5-yl]cyclopentane-1-carboxamide
CID 100775150
N-(8-methoxyquinolin-5-yl)-1-phenylcyclohexane-1-carboxamide
CID 100770558
N-(4-butoxynaphthalen-1-yl)-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 133205462
trans-(1S,3R)-N-(3-chloro-4-methoxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100707553
trans-(1S,3R)-1-ethoxy-3-methyl-N-(4-propoxynaphthalen-1-yl)cyclohexane-1-carboxamide
CID 100762900
1-[(8-methoxyquinolin-5-yl)carbamoyl]piperidine-4-carboxylic acid
CID 122078081
trans-(1R,3S)-N-(2-cyano-4-methoxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100757283
cis-(1S,3S)-N-(4-ethoxy-3-methylphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100707022
trans-(1R,3S)-1-ethoxy-3-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclohexane-1-carboxamide
CID 100762995

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3R)-1-methoxy-N-(8-methoxyquinolin-5-yl)-3-methylcyclohexane-1-carboxamide?
The IUPAC name of trans-(1S,3R)-1-methoxy-N-(8-methoxyquinolin-5-yl)-3-methylcyclohexane-1-carboxamide (CID 100775557) is trans-(1S,3R)-1-methoxy-N-(8-methoxyquinolin-5-yl)-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1S,3R)-1-methoxy-N-(8-methoxyquinolin-5-yl)-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for trans-(1S,3R)-1-methoxy-N-(8-methoxyquinolin-5-yl)-3-methylcyclohexane-1-carboxamide is COc1ccc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)c2cccnc12.
What is the InChIKey of trans-(1S,3R)-1-methoxy-N-(8-methoxyquinolin-5-yl)-3-methylcyclohexane-1-carboxamide?
The InChIKey is MEHAHMFRACNSNT-YJYMSZOUSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-13-6-4-10-19(12-13,24-3)18(22)21-15-8-9-16(23-2)17-14(15)7-5-11-20-17/h5,7-9,11,13H,4,6,10,12H2,1-3H3,(H,21,22)/t13-,19+/m1/s1.
What are the key properties of trans-(1S,3R)-1-methoxy-N-(8-methoxyquinolin-5-yl)-3-methylcyclohexane-1-carboxamide?
trans-(1S,3R)-1-methoxy-N-(8-methoxyquinolin-5-yl)-3-methylcyclohexane-1-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3R)-1-methoxy-N-(8-methoxyquinolin-5-yl)-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 100775557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).