4-(6,7-dimethoxyquinolin-4-yl)oxycyclohexan-1-amine

C17H22N2O3 — CID 139337026

IUPAC4-(6,7-dimethoxyquinolin-4-yl)oxycyclohexan-1-amine
SMILESCOc1cc2nccc(OC3CCC(N)CC3)c2cc1OC
InChIInChI=1S/C17H22N2O3/c1-20-16-9-13-14(10-17(16)21-2)19-8-7-15(13)22-12-5-3-11(18)4-6-12/h7-12H,3-6,18H2,1-2H3
InChIKeyRMARRDUWDKMWCL-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.90
Rot. Bonds4

About 4-(6,7-dimethoxyquinolin-4-yl)oxycyclohexan-1-amine

4-(6,7-dimethoxyquinolin-4-yl)oxycyclohexan-1-amine (PubChem CID 139337026) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 4-(6,7-dimethoxyquinolin-4-yl)oxycyclohexan-1-amine.

Molecular Properties

Compound Name4-(6,7-dimethoxyquinolin-4-yl)oxycyclohexan-1-amine
PubChem CID139337026
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name4-(6,7-dimethoxyquinolin-4-yl)oxycyclohexan-1-amine
SMILESCOc1cc2nccc(OC3CCC(N)CC3)c2cc1OC
InChIInChI=1S/C17H22N2O3/c1-20-16-9-13-14(10-17(16)21-2)19-8-7-15(13)22-12-5-3-11(18)4-6-12/h7-12H,3-6,18H2,1-2H3
InChIKeyRMARRDUWDKMWCL-UHFFFAOYSA-N
XLogP2.90
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methane;4,6,7-trimethoxyquinoline
CID 157066291
6-(4-aminocyclohexyl)oxy-N-(3-chloro-2-fluorophenyl)-7-methoxyquinazolin-4-amine
CID 25017541
methyl 4-(4-aminocyclohexyl)oxy-3-methoxybenzoate
CID 117053323
[4-[(6,7-dimethoxyquinolin-4-yl)amino]cyclohexyl]methanesulfonamide
CID 158306742
4-(4-cyclopropylphenoxy)-6,7-dimethoxyquinoline
CID 160640233
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride
CID 118991674
N-[6-(6,7-dimethoxyquinolin-4-yl)oxycyclododecyl]-4-ethoxy-1-methylpyrazole-3-carboxamide
CID 134396138
4-cyclopropyloxy-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]pyridine-3-carboxamide
CID 168842883
4-(6-cyclopropyl-4-nitrocyclohexa-2,4-dien-1-yl)oxy-6,7-dimethoxyquinoline
CID 147472862
6-methoxy-4-(1-methylpyrrolidin-3-yl)oxyquinoline
CID 126953937
4-cyclooctyloxy-7-methylquinoline
CID 134333787
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;methanethiol
CID 165143775

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dimethoxyquinolin-4-yl)oxycyclohexan-1-amine?
The IUPAC name of 4-(6,7-dimethoxyquinolin-4-yl)oxycyclohexan-1-amine (CID 139337026) is 4-(6,7-dimethoxyquinolin-4-yl)oxycyclohexan-1-amine.
What is the SMILES notation for 4-(6,7-dimethoxyquinolin-4-yl)oxycyclohexan-1-amine?
The canonical SMILES for 4-(6,7-dimethoxyquinolin-4-yl)oxycyclohexan-1-amine is COc1cc2nccc(OC3CCC(N)CC3)c2cc1OC.
What is the InChIKey of 4-(6,7-dimethoxyquinolin-4-yl)oxycyclohexan-1-amine?
The InChIKey is RMARRDUWDKMWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-20-16-9-13-14(10-17(16)21-2)19-8-7-15(13)22-12-5-3-11(18)4-6-12/h7-12H,3-6,18H2,1-2H3.
What are the key properties of 4-(6,7-dimethoxyquinolin-4-yl)oxycyclohexan-1-amine?
4-(6,7-dimethoxyquinolin-4-yl)oxycyclohexan-1-amine has a molecular weight of 302.37 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dimethoxyquinolin-4-yl)oxycyclohexan-1-amine is sourced from PubChem (CID 139337026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).