4-[amino(2-ethoxyheptan-2-yl)amino]quinolin-7-ol

C18H27N3O2 — CID 150351627

IUPAC4-[amino(2-ethoxyheptan-2-yl)amino]quinolin-7-ol
SMILESCCCCCC(C)(OCC)N(N)c1ccnc2cc(O)ccc12
InChIInChI=1S/C18H27N3O2/c1-4-6-7-11-18(3,23-5-2)21(19)17-10-12-20-16-13-14(22)8-9-15(16)17/h8-10,12-13,22H,4-7,11,19H2,1-3H3
InChIKeyGTVUQMSMPIGOCE-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.95
Rot. Bonds8

About 4-[amino(2-ethoxyheptan-2-yl)amino]quinolin-7-ol

4-[amino(2-ethoxyheptan-2-yl)amino]quinolin-7-ol (PubChem CID 150351627) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 4-[amino(2-ethoxyheptan-2-yl)amino]quinolin-7-ol.

Molecular Properties

Compound Name4-[amino(2-ethoxyheptan-2-yl)amino]quinolin-7-ol
PubChem CID150351627
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name4-[amino(2-ethoxyheptan-2-yl)amino]quinolin-7-ol
SMILESCCCCCC(C)(OCC)N(N)c1ccnc2cc(O)ccc12
InChIInChI=1S/C18H27N3O2/c1-4-6-7-11-18(3,23-5-2)21(19)17-10-12-20-16-13-14(22)8-9-15(16)17/h8-10,12-13,22H,4-7,11,19H2,1-3H3
InChIKeyGTVUQMSMPIGOCE-UHFFFAOYSA-N
XLogP3.95
TPSA71.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(7-chloroquinolin-4-yl)-1-(2-ethoxyheptan-2-yl)hydrazine
CID 150345948
1-(2,2-dimethylheptylamino)isoquinolin-7-ol
CID 106539127
4-butylquinolin-6-ol
CID 155350973
3-[amino(quinolin-4-yl)amino]-3,5-dimethylheptan-1-ol
CID 140608181
(7-hydroxyquinolin-4-yl)-trimethylazanium
CID 174377892
2-ethoxy-N-(6-ethoxy-3-pyridinyl)-2-methylheptanamide
CID 133205772
6-[amino-(7-fluoroquinolin-4-yl)amino]-3-ethylhexan-1-ol
CID 69170919
(2R)-2-ethoxy-2-methyl-N-(6-propoxy-3-pyridinyl)heptanamide
CID 100776755
2-quinolin-6-ylheptan-2-ol
CID 81215851
4-(2-hydroxyheptan-2-yl)phenol
CID 83075318
5-(2-methylheptan-2-yl)benzene-1,3-diol
CID 12713057
4-tert-butyl-2-pentylpyridine
CID 129189676

Frequently Asked Questions

What is the IUPAC name of 4-[amino(2-ethoxyheptan-2-yl)amino]quinolin-7-ol?
The IUPAC name of 4-[amino(2-ethoxyheptan-2-yl)amino]quinolin-7-ol (CID 150351627) is 4-[amino(2-ethoxyheptan-2-yl)amino]quinolin-7-ol.
What is the SMILES notation for 4-[amino(2-ethoxyheptan-2-yl)amino]quinolin-7-ol?
The canonical SMILES for 4-[amino(2-ethoxyheptan-2-yl)amino]quinolin-7-ol is CCCCCC(C)(OCC)N(N)c1ccnc2cc(O)ccc12.
What is the InChIKey of 4-[amino(2-ethoxyheptan-2-yl)amino]quinolin-7-ol?
The InChIKey is GTVUQMSMPIGOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-4-6-7-11-18(3,23-5-2)21(19)17-10-12-20-16-13-14(22)8-9-15(16)17/h8-10,12-13,22H,4-7,11,19H2,1-3H3.
What are the key properties of 4-[amino(2-ethoxyheptan-2-yl)amino]quinolin-7-ol?
4-[amino(2-ethoxyheptan-2-yl)amino]quinolin-7-ol has a molecular weight of 317.43 g/mol, XLogP of 3.95, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(2-ethoxyheptan-2-yl)amino]quinolin-7-ol is sourced from PubChem (CID 150351627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).