3-[(3-aminoquinolin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol

C15H19N3O — CID 114628814

IUPAC3-[(3-aminoquinolin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1Nc1c(N)cnc2ccccc12
InChIInChI=1S/C15H19N3O/c1-15(2)12(7-13(15)19)18-14-9-5-3-4-6-11(9)17-8-10(14)16/h3-6,8,12-13,19H,7,16H2,1-2H3,(H,17,18)
InChIKeyRSDGCSPRMBFURG-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.39
Rot. Bonds2

About 3-[(3-aminoquinolin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol

3-[(3-aminoquinolin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol (PubChem CID 114628814) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-[(3-aminoquinolin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[(3-aminoquinolin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol
PubChem CID114628814
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-[(3-aminoquinolin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1Nc1c(N)cnc2ccccc12
InChIInChI=1S/C15H19N3O/c1-15(2)12(7-13(15)19)18-14-9-5-3-4-6-11(9)17-8-10(14)16/h3-6,8,12-13,19H,7,16H2,1-2H3,(H,17,18)
InChIKeyRSDGCSPRMBFURG-UHFFFAOYSA-N
XLogP2.39
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminoquinolin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[(3-aminoquinolin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol (CID 114628814) is 3-[(3-aminoquinolin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[(3-aminoquinolin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[(3-aminoquinolin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol is CC1(C)C(O)CC1Nc1c(N)cnc2ccccc12.
What is the InChIKey of 3-[(3-aminoquinolin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is RSDGCSPRMBFURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-15(2)12(7-13(15)19)18-14-9-5-3-4-6-11(9)17-8-10(14)16/h3-6,8,12-13,19H,7,16H2,1-2H3,(H,17,18).
What are the key properties of 3-[(3-aminoquinolin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol?
3-[(3-aminoquinolin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 257.34 g/mol, XLogP of 2.39, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminoquinolin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 114628814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).