2-[(5-amino-7-fluoroquinolin-8-yl)amino]-2-methylbutan-1-ol

C14H18FN3O — CID 83165509

IUPAC2-[(5-amino-7-fluoroquinolin-8-yl)amino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)Nc1c(F)cc(N)c2cccnc12
InChIInChI=1S/C14H18FN3O/c1-3-14(2,8-19)18-13-10(15)7-11(16)9-5-4-6-17-12(9)13/h4-7,18-19H,3,8,16H2,1-2H3
InChIKeyYYSSCPKOPSJWCN-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.53
Rot. Bonds4

About 2-[(5-amino-7-fluoroquinolin-8-yl)amino]-2-methylbutan-1-ol

2-[(5-amino-7-fluoroquinolin-8-yl)amino]-2-methylbutan-1-ol (PubChem CID 83165509) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-[(5-amino-7-fluoroquinolin-8-yl)amino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(5-amino-7-fluoroquinolin-8-yl)amino]-2-methylbutan-1-ol
PubChem CID83165509
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name2-[(5-amino-7-fluoroquinolin-8-yl)amino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)Nc1c(F)cc(N)c2cccnc12
InChIInChI=1S/C14H18FN3O/c1-3-14(2,8-19)18-13-10(15)7-11(16)9-5-4-6-17-12(9)13/h4-7,18-19H,3,8,16H2,1-2H3
InChIKeyYYSSCPKOPSJWCN-UHFFFAOYSA-N
XLogP2.53
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(5-amino-7-fluoroquinolin-8-yl)amino]-2-methylbutan-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

Related Compounds

7-fluoro-8-N-(3-methylpentan-3-yl)quinoline-5,8-diamine
CID 106327998
3-[(5-amino-7-fluoroquinolin-8-yl)amino]-2,3-dimethylbutan-2-ol
CID 106183325
2-[(5-amino-7-fluoroquinolin-8-yl)amino]propan-1-ol
CID 83165824
7-fluoro-8-N-(3-methylsulfanylpropyl)quinoline-5,8-diamine
CID 83164465
7-fluoro-8-N-(4,4,4-trifluorobutyl)quinoline-5,8-diamine
CID 83166181
7-fluoro-8-N-(3-methylbutyl)quinoline-5,8-diamine
CID 83174141
ethyl 3-[(5-amino-7-fluoroquinolin-8-yl)amino]propanoate
CID 83164635
8-N-[3-(diethylamino)propyl]-7-fluoroquinoline-5,8-diamine
CID 83163867
7-fluoro-8-N-(4-methylpentan-2-yl)quinoline-5,8-diamine
CID 83164439
8-N-[4-(dimethylamino)butyl]-7-fluoroquinoline-5,8-diamine
CID 83164454
3-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]cyclobutan-1-ol
CID 83164807
7-fluoro-8-N-[(1-methylcyclopentyl)methyl]quinoline-5,8-diamine
CID 83165841

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-7-fluoroquinolin-8-yl)amino]-2-methylbutan-1-ol?
The IUPAC name of 2-[(5-amino-7-fluoroquinolin-8-yl)amino]-2-methylbutan-1-ol (CID 83165509) is 2-[(5-amino-7-fluoroquinolin-8-yl)amino]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[(5-amino-7-fluoroquinolin-8-yl)amino]-2-methylbutan-1-ol?
The canonical SMILES for 2-[(5-amino-7-fluoroquinolin-8-yl)amino]-2-methylbutan-1-ol is CCC(C)(CO)Nc1c(F)cc(N)c2cccnc12.
What is the InChIKey of 2-[(5-amino-7-fluoroquinolin-8-yl)amino]-2-methylbutan-1-ol?
The InChIKey is YYSSCPKOPSJWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-3-14(2,8-19)18-13-10(15)7-11(16)9-5-4-6-17-12(9)13/h4-7,18-19H,3,8,16H2,1-2H3.
What are the key properties of 2-[(5-amino-7-fluoroquinolin-8-yl)amino]-2-methylbutan-1-ol?
2-[(5-amino-7-fluoroquinolin-8-yl)amino]-2-methylbutan-1-ol has a molecular weight of 263.32 g/mol, XLogP of 2.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-7-fluoroquinolin-8-yl)amino]-2-methylbutan-1-ol is sourced from PubChem (CID 83165509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).