3-[amino(quinolin-4-yl)amino]-3,5-dimethylheptan-1-ol

C18H27N3O — CID 140608181

IUPAC3-[amino(quinolin-4-yl)amino]-3,5-dimethylheptan-1-ol
SMILESCCC(C)CC(C)(CCO)N(N)c1ccnc2ccccc12
InChIInChI=1S/C18H27N3O/c1-4-14(2)13-18(3,10-12-22)21(19)17-9-11-20-16-8-6-5-7-15(16)17/h5-9,11,14,22H,4,10,12-13,19H2,1-3H3
InChIKeyMDMZPPKBDYZNPT-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.49
Rot. Bonds7

About 3-[amino(quinolin-4-yl)amino]-3,5-dimethylheptan-1-ol

3-[amino(quinolin-4-yl)amino]-3,5-dimethylheptan-1-ol (PubChem CID 140608181) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 3-[amino(quinolin-4-yl)amino]-3,5-dimethylheptan-1-ol.

Molecular Properties

Compound Name3-[amino(quinolin-4-yl)amino]-3,5-dimethylheptan-1-ol
PubChem CID140608181
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name3-[amino(quinolin-4-yl)amino]-3,5-dimethylheptan-1-ol
SMILESCCC(C)CC(C)(CCO)N(N)c1ccnc2ccccc12
InChIInChI=1S/C18H27N3O/c1-4-14(2)13-18(3,10-12-22)21(19)17-9-11-20-16-8-6-5-7-15(16)17/h5-9,11,14,22H,4,10,12-13,19H2,1-3H3
InChIKeyMDMZPPKBDYZNPT-UHFFFAOYSA-N
XLogP3.49
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[amino(quinolin-4-yl)amino]-3,5-dimethylheptan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[amino(quinolin-4-yl)amino]-3,5-dimethylheptan-1-ol?
The IUPAC name of 3-[amino(quinolin-4-yl)amino]-3,5-dimethylheptan-1-ol (CID 140608181) is 3-[amino(quinolin-4-yl)amino]-3,5-dimethylheptan-1-ol.
What is the SMILES notation for 3-[amino(quinolin-4-yl)amino]-3,5-dimethylheptan-1-ol?
The canonical SMILES for 3-[amino(quinolin-4-yl)amino]-3,5-dimethylheptan-1-ol is CCC(C)CC(C)(CCO)N(N)c1ccnc2ccccc12.
What is the InChIKey of 3-[amino(quinolin-4-yl)amino]-3,5-dimethylheptan-1-ol?
The InChIKey is MDMZPPKBDYZNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-4-14(2)13-18(3,10-12-22)21(19)17-9-11-20-16-8-6-5-7-15(16)17/h5-9,11,14,22H,4,10,12-13,19H2,1-3H3.
What are the key properties of 3-[amino(quinolin-4-yl)amino]-3,5-dimethylheptan-1-ol?
3-[amino(quinolin-4-yl)amino]-3,5-dimethylheptan-1-ol has a molecular weight of 301.43 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(quinolin-4-yl)amino]-3,5-dimethylheptan-1-ol is sourced from PubChem (CID 140608181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).