3-[(3-fluoroquinolin-7-yl)amino]propane-1,2-diol

C12H13FN2O2 — CID 168596181

IUPAC3-[(3-fluoroquinolin-7-yl)amino]propane-1,2-diol
SMILESOCC(O)CNc1ccc2cc(F)cnc2c1
InChIInChI=1S/C12H13FN2O2/c13-9-3-8-1-2-10(4-12(8)15-5-9)14-6-11(17)7-16/h1-5,11,14,16-17H,6-7H2
InChIKeyTWXJDDXOUXBHBH-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.14
Rot. Bonds4

About 3-[(3-fluoroquinolin-7-yl)amino]propane-1,2-diol

3-[(3-fluoroquinolin-7-yl)amino]propane-1,2-diol (PubChem CID 168596181) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 3-[(3-fluoroquinolin-7-yl)amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(3-fluoroquinolin-7-yl)amino]propane-1,2-diol
PubChem CID168596181
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name3-[(3-fluoroquinolin-7-yl)amino]propane-1,2-diol
SMILESOCC(O)CNc1ccc2cc(F)cnc2c1
InChIInChI=1S/C12H13FN2O2/c13-9-3-8-1-2-10(4-12(8)15-5-9)14-6-11(17)7-16/h1-5,11,14,16-17H,6-7H2
InChIKeyTWXJDDXOUXBHBH-UHFFFAOYSA-N
XLogP1.14
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluoro-3-iodoanilino)propane-1,2-diol
CID 168597274
3-(1,3-benzothiazol-6-ylamino)propane-1,2-diol
CID 107804909
3-(3,4-dimethylanilino)propane-1,2-diol
CID 76891516
5-(2,3-dihydroxypropylamino)-2-fluorobenzoic acid
CID 168594042
3-[[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]amino]propane-1,2-diol
CID 168595682
3-(4-chloroanilino)propane-1,2-diol
CID 76891534
3-[[4-[4-[[4,6-bis(2,3-dihydroxypropylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(2,3-dihydroxypropylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol
CID 21351792
3-(5,6,7,8-tetrahydronaphthalen-2-ylamino)propane-1,2-diol
CID 115121860
3-(3-bromo-4-chloroanilino)propane-1,2-diol
CID 82850538
4-(2,3-dihydroxypropylamino)phthalic acid
CID 168596094
(2R)-3-(4-bromo-3-methylanilino)propane-1,2-diol
CID 70935022
3-[(2-pyridin-2-yl-3H-benzimidazol-5-yl)amino]propane-1,2-diol
CID 168594981

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoroquinolin-7-yl)amino]propane-1,2-diol?
The IUPAC name of 3-[(3-fluoroquinolin-7-yl)amino]propane-1,2-diol (CID 168596181) is 3-[(3-fluoroquinolin-7-yl)amino]propane-1,2-diol.
What is the SMILES notation for 3-[(3-fluoroquinolin-7-yl)amino]propane-1,2-diol?
The canonical SMILES for 3-[(3-fluoroquinolin-7-yl)amino]propane-1,2-diol is OCC(O)CNc1ccc2cc(F)cnc2c1.
What is the InChIKey of 3-[(3-fluoroquinolin-7-yl)amino]propane-1,2-diol?
The InChIKey is TWXJDDXOUXBHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c13-9-3-8-1-2-10(4-12(8)15-5-9)14-6-11(17)7-16/h1-5,11,14,16-17H,6-7H2.
What are the key properties of 3-[(3-fluoroquinolin-7-yl)amino]propane-1,2-diol?
3-[(3-fluoroquinolin-7-yl)amino]propane-1,2-diol has a molecular weight of 236.25 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoroquinolin-7-yl)amino]propane-1,2-diol is sourced from PubChem (CID 168596181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).