4-(2-methylpropylamino)-2-quinolin-7-ylbutan-2-ol

C17H24N2O — CID 81221362

IUPAC4-(2-methylpropylamino)-2-quinolin-7-ylbutan-2-ol
SMILESCC(C)CNCCC(C)(O)c1ccc2cccnc2c1
InChIInChI=1S/C17H24N2O/c1-13(2)12-18-10-8-17(3,20)15-7-6-14-5-4-9-19-16(14)11-15/h4-7,9,11,13,18,20H,8,10,12H2,1-3H3
InChIKeyLPPDJLBQGPQDQQ-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.08
Rot. Bonds6

About 4-(2-methylpropylamino)-2-quinolin-7-ylbutan-2-ol

4-(2-methylpropylamino)-2-quinolin-7-ylbutan-2-ol (PubChem CID 81221362) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-(2-methylpropylamino)-2-quinolin-7-ylbutan-2-ol.

Molecular Properties

Compound Name4-(2-methylpropylamino)-2-quinolin-7-ylbutan-2-ol
PubChem CID81221362
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name4-(2-methylpropylamino)-2-quinolin-7-ylbutan-2-ol
SMILESCC(C)CNCCC(C)(O)c1ccc2cccnc2c1
InChIInChI=1S/C17H24N2O/c1-13(2)12-18-10-8-17(3,20)15-7-6-14-5-4-9-19-16(14)11-15/h4-7,9,11,13,18,20H,8,10,12H2,1-3H3
InChIKeyLPPDJLBQGPQDQQ-UHFFFAOYSA-N
XLogP3.08
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methylpropylamino)-2-quinolin-8-ylbutan-2-ol
CID 81221214
1-(2-methoxyethylamino)-2-quinolin-7-ylpropan-2-ol
CID 81221998
4-(2-methylpropylamino)-2-pyridin-3-ylbutan-2-ol
CID 66002674
3-methyl-N-propan-2-yl-3-quinolin-7-ylbutan-1-amine
CID 81222494
2-(2-methylpropylamino)-1-quinolin-7-ylethanol
CID 81221212
3-methyl-N-(2-methylpropyl)-3-quinolin-8-ylbutan-1-amine
CID 81223542
4-(2-methylpropylamino)-2-(3-propylphenyl)butan-2-ol
CID 116546296
N-(2-methylpropyl)-4-quinolin-7-yloxypentan-1-amine
CID 107315179
2-quinolin-6-ylheptan-2-ol
CID 81215851
6-tert-butylquinoline;7-tert-butylquinoline
CID 159076219
1-phenyl-1-quinolin-7-ylethanamine
CID 81216667
2-methyl-2-quinolin-7-ylpropanoic acid
CID 81223992

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropylamino)-2-quinolin-7-ylbutan-2-ol?
The IUPAC name of 4-(2-methylpropylamino)-2-quinolin-7-ylbutan-2-ol (CID 81221362) is 4-(2-methylpropylamino)-2-quinolin-7-ylbutan-2-ol.
What is the SMILES notation for 4-(2-methylpropylamino)-2-quinolin-7-ylbutan-2-ol?
The canonical SMILES for 4-(2-methylpropylamino)-2-quinolin-7-ylbutan-2-ol is CC(C)CNCCC(C)(O)c1ccc2cccnc2c1.
What is the InChIKey of 4-(2-methylpropylamino)-2-quinolin-7-ylbutan-2-ol?
The InChIKey is LPPDJLBQGPQDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13(2)12-18-10-8-17(3,20)15-7-6-14-5-4-9-19-16(14)11-15/h4-7,9,11,13,18,20H,8,10,12H2,1-3H3.
What are the key properties of 4-(2-methylpropylamino)-2-quinolin-7-ylbutan-2-ol?
4-(2-methylpropylamino)-2-quinolin-7-ylbutan-2-ol has a molecular weight of 272.39 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropylamino)-2-quinolin-7-ylbutan-2-ol is sourced from PubChem (CID 81221362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).