N-ethylethanamine;[8-(hexylamino)-6-methoxyquinolin-4-yl]methanol

C21H35N3O2 — CID 20979535

IUPACN-ethylethanamine;[8-(hexylamino)-6-methoxyquinolin-4-yl]methanol
SMILESCCCCCCNc1cc(OC)cc2c(CO)ccnc12.CCNCC
InChIInChI=1S/C17H24N2O2.C4H11N/c1-3-4-5-6-8-18-16-11-14(21-2)10-15-13(12-20)7-9-19-17(15)16;1-3-5-4-2/h7,9-11,18,20H,3-6,8,12H2,1-2H3;5H,3-4H2,1-2H3
InChIKeyMGNPFYMQRQUDKI-UHFFFAOYSA-N
MW361.53 g/mol
LogP4.34
Rot. Bonds10

About N-ethylethanamine;[8-(hexylamino)-6-methoxyquinolin-4-yl]methanol

N-ethylethanamine;[8-(hexylamino)-6-methoxyquinolin-4-yl]methanol (PubChem CID 20979535) has the molecular formula C21H35N3O2 and a molecular weight of 361.53 g/mol. Its IUPAC name is N-ethylethanamine;[8-(hexylamino)-6-methoxyquinolin-4-yl]methanol.

Molecular Properties

Compound NameN-ethylethanamine;[8-(hexylamino)-6-methoxyquinolin-4-yl]methanol
PubChem CID20979535
Molecular FormulaC21H35N3O2
Molecular Weight361.53 g/mol
Exact Mass361.27
IUPAC NameN-ethylethanamine;[8-(hexylamino)-6-methoxyquinolin-4-yl]methanol
SMILESCCCCCCNc1cc(OC)cc2c(CO)ccnc12.CCNCC
InChIInChI=1S/C17H24N2O2.C4H11N/c1-3-4-5-6-8-18-16-11-14(21-2)10-15-13(12-20)7-9-19-17(15)16;1-3-5-4-2/h7,9-11,18,20H,3-6,8,12H2,1-2H3;5H,3-4H2,1-2H3
InChIKeyMGNPFYMQRQUDKI-UHFFFAOYSA-N
XLogP4.34
TPSA66.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[8-(hexylamino)-6-methoxyquinolin-4-yl]methanol
CID 20979536
N',N'-diethyl-N-(4-ethyl-6-methoxyquinolin-8-yl)hexane-1,6-diamine
CID 12529748
2-[6-[(6-methoxy-4-methylquinolin-8-yl)amino]hexylamino]ethanol
CID 12618404
1-N-(6-methoxy-4-methylquinolin-8-yl)octane-1,6-diamine
CID 141175869
N',N'-diethyl-N-(6-methoxy-4-methylquinolin-8-yl)hexane-1,6-diamine;4-methylbenzenesulfonic acid
CID 24769161
1-[(6-methoxy-4-methylquinolin-8-yl)amino]hexan-1-ol
CID 86741428
[4-[6-[(6-methoxy-4-methylquinolin-8-yl)amino]hexyl]piperazin-1-yl] formate
CID 70431033
2-ethyl-1-[4-[6-[(6-methoxy-4-methylquinolin-8-yl)amino]hexyl]piperazin-1-yl]butan-1-one;dihydrochloride
CID 13077553
4-methoxy-2-(pentylamino)benzenecarbothioamide
CID 81305642
6-[(7-methoxyquinolin-4-yl)amino]hexan-1-ol
CID 21424689
5-[(7-methoxyquinolin-4-yl)amino]pentan-1-ol
CID 21424700
4-methoxy-2-methyl-N-nonylaniline
CID 63492120

Frequently Asked Questions

What is the IUPAC name of N-ethylethanamine;[8-(hexylamino)-6-methoxyquinolin-4-yl]methanol?
The IUPAC name of N-ethylethanamine;[8-(hexylamino)-6-methoxyquinolin-4-yl]methanol (CID 20979535) is N-ethylethanamine;[8-(hexylamino)-6-methoxyquinolin-4-yl]methanol.
What is the SMILES notation for N-ethylethanamine;[8-(hexylamino)-6-methoxyquinolin-4-yl]methanol?
The canonical SMILES for N-ethylethanamine;[8-(hexylamino)-6-methoxyquinolin-4-yl]methanol is CCCCCCNc1cc(OC)cc2c(CO)ccnc12.CCNCC.
What is the InChIKey of N-ethylethanamine;[8-(hexylamino)-6-methoxyquinolin-4-yl]methanol?
The InChIKey is MGNPFYMQRQUDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2.C4H11N/c1-3-4-5-6-8-18-16-11-14(21-2)10-15-13(12-20)7-9-19-17(15)16;1-3-5-4-2/h7,9-11,18,20H,3-6,8,12H2,1-2H3;5H,3-4H2,1-2H3.
What are the key properties of N-ethylethanamine;[8-(hexylamino)-6-methoxyquinolin-4-yl]methanol?
N-ethylethanamine;[8-(hexylamino)-6-methoxyquinolin-4-yl]methanol has a molecular weight of 361.53 g/mol, XLogP of 4.34, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanamine;[8-(hexylamino)-6-methoxyquinolin-4-yl]methanol is sourced from PubChem (CID 20979535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).