2-(2-methylquinolin-6-yl)-4-(propan-2-ylamino)butan-2-ol

C17H24N2O — CID 81221994

IUPAC2-(2-methylquinolin-6-yl)-4-(propan-2-ylamino)butan-2-ol
SMILESCc1ccc2cc(C(C)(O)CCNC(C)C)ccc2n1
InChIInChI=1S/C17H24N2O/c1-12(2)18-10-9-17(4,20)15-7-8-16-14(11-15)6-5-13(3)19-16/h5-8,11-12,18,20H,9-10H2,1-4H3
InChIKeyGHODVTJXLBZEQC-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.14
Rot. Bonds5

About 2-(2-methylquinolin-6-yl)-4-(propan-2-ylamino)butan-2-ol

2-(2-methylquinolin-6-yl)-4-(propan-2-ylamino)butan-2-ol (PubChem CID 81221994) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-(2-methylquinolin-6-yl)-4-(propan-2-ylamino)butan-2-ol.

Molecular Properties

Compound Name2-(2-methylquinolin-6-yl)-4-(propan-2-ylamino)butan-2-ol
PubChem CID81221994
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-(2-methylquinolin-6-yl)-4-(propan-2-ylamino)butan-2-ol
SMILESCc1ccc2cc(C(C)(O)CCNC(C)C)ccc2n1
InChIInChI=1S/C17H24N2O/c1-12(2)18-10-9-17(4,20)15-7-8-16-14(11-15)6-5-13(3)19-16/h5-8,11-12,18,20H,9-10H2,1-4H3
InChIKeyGHODVTJXLBZEQC-UHFFFAOYSA-N
XLogP3.14
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylquinolin-6-yl)-4-(propan-2-ylamino)butan-2-ol?
The IUPAC name of 2-(2-methylquinolin-6-yl)-4-(propan-2-ylamino)butan-2-ol (CID 81221994) is 2-(2-methylquinolin-6-yl)-4-(propan-2-ylamino)butan-2-ol.
What is the SMILES notation for 2-(2-methylquinolin-6-yl)-4-(propan-2-ylamino)butan-2-ol?
The canonical SMILES for 2-(2-methylquinolin-6-yl)-4-(propan-2-ylamino)butan-2-ol is Cc1ccc2cc(C(C)(O)CCNC(C)C)ccc2n1.
What is the InChIKey of 2-(2-methylquinolin-6-yl)-4-(propan-2-ylamino)butan-2-ol?
The InChIKey is GHODVTJXLBZEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12(2)18-10-9-17(4,20)15-7-8-16-14(11-15)6-5-13(3)19-16/h5-8,11-12,18,20H,9-10H2,1-4H3.
What are the key properties of 2-(2-methylquinolin-6-yl)-4-(propan-2-ylamino)butan-2-ol?
2-(2-methylquinolin-6-yl)-4-(propan-2-ylamino)butan-2-ol has a molecular weight of 272.39 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylquinolin-6-yl)-4-(propan-2-ylamino)butan-2-ol is sourced from PubChem (CID 81221994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).