2-[(7-aminoquinolin-4-yl)amino]-1-cyclopropylethanol

C14H17N3O — CID 103001162

IUPAC2-[(7-aminoquinolin-4-yl)amino]-1-cyclopropylethanol
SMILESNc1ccc2c(NCC(O)C3CC3)ccnc2c1
InChIInChI=1S/C14H17N3O/c15-10-3-4-11-12(5-6-16-13(11)7-10)17-8-14(18)9-1-2-9/h3-7,9,14,18H,1-2,8,15H2,(H,16,17)
InChIKeyHNYGKNKQXRWSRJ-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.00
Rot. Bonds4

About 2-[(7-aminoquinolin-4-yl)amino]-1-cyclopropylethanol

2-[(7-aminoquinolin-4-yl)amino]-1-cyclopropylethanol (PubChem CID 103001162) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[(7-aminoquinolin-4-yl)amino]-1-cyclopropylethanol.

Molecular Properties

Compound Name2-[(7-aminoquinolin-4-yl)amino]-1-cyclopropylethanol
PubChem CID103001162
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-[(7-aminoquinolin-4-yl)amino]-1-cyclopropylethanol
SMILESNc1ccc2c(NCC(O)C3CC3)ccnc2c1
InChIInChI=1S/C14H17N3O/c15-10-3-4-11-12(5-6-16-13(11)7-10)17-8-14(18)9-1-2-9/h3-7,9,14,18H,1-2,8,15H2,(H,16,17)
InChIKeyHNYGKNKQXRWSRJ-UHFFFAOYSA-N
XLogP2.00
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(7-chloroquinolin-4-yl)amino]-1-cyclopropylethanol
CID 63296139
4-N-[2-(dimethylamino)propyl]quinoline-4,7-diamine
CID 103000943
4-N-[(4-methylcyclohexyl)methyl]quinoline-4,7-diamine
CID 103001147
4-N-(2-cyclohexylethyl)quinoline-4,7-diamine
CID 103000540
3-[[(7-aminoquinolin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106120055
4-N-[(2-methylcyclopentyl)methyl]quinoline-4,7-diamine
CID 107416668
3-[(7-aminoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 103001581
4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,7-diamine
CID 103001451
4-N-(oxan-2-ylmethyl)quinoline-4,7-diamine
CID 103000863
4-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4,7-diamine
CID 103000573
4-N-but-3-enylquinoline-4,7-diamine
CID 103001772
4-N-(3-butoxypropyl)quinoline-4,7-diamine
CID 103001799

Frequently Asked Questions

What is the IUPAC name of 2-[(7-aminoquinolin-4-yl)amino]-1-cyclopropylethanol?
The IUPAC name of 2-[(7-aminoquinolin-4-yl)amino]-1-cyclopropylethanol (CID 103001162) is 2-[(7-aminoquinolin-4-yl)amino]-1-cyclopropylethanol.
What is the SMILES notation for 2-[(7-aminoquinolin-4-yl)amino]-1-cyclopropylethanol?
The canonical SMILES for 2-[(7-aminoquinolin-4-yl)amino]-1-cyclopropylethanol is Nc1ccc2c(NCC(O)C3CC3)ccnc2c1.
What is the InChIKey of 2-[(7-aminoquinolin-4-yl)amino]-1-cyclopropylethanol?
The InChIKey is HNYGKNKQXRWSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-10-3-4-11-12(5-6-16-13(11)7-10)17-8-14(18)9-1-2-9/h3-7,9,14,18H,1-2,8,15H2,(H,16,17).
What are the key properties of 2-[(7-aminoquinolin-4-yl)amino]-1-cyclopropylethanol?
2-[(7-aminoquinolin-4-yl)amino]-1-cyclopropylethanol has a molecular weight of 243.31 g/mol, XLogP of 2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-aminoquinolin-4-yl)amino]-1-cyclopropylethanol is sourced from PubChem (CID 103001162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).