2-amino-4-(4-fluorophenyl)-3-propan-2-ylquinolin-7-ol;3-hydroxypropanoic acid

C21H23FN2O4 — CID 156880459

IUPAC2-amino-4-(4-fluorophenyl)-3-propan-2-ylquinolin-7-ol;3-hydroxypropanoic acid
SMILESCC(C)c1c(N)nc2cc(O)ccc2c1-c1ccc(F)cc1.O=C(O)CCO
InChIInChI=1S/C18H17FN2O.C3H6O3/c1-10(2)16-17(11-3-5-12(19)6-4-11)14-8-7-13(22)9-15(14)21-18(16)20;4-2-1-3(5)6/h3-10,22H,1-2H3,(H2,20,21);4H,1-2H2,(H,5,6)
InChIKeyBTIWSOZVYFUSLI-UHFFFAOYSA-N
MW386.42 g/mol
LogP3.91
Rot. Bonds4

About 2-amino-4-(4-fluorophenyl)-3-propan-2-ylquinolin-7-ol;3-hydroxypropanoic acid

2-amino-4-(4-fluorophenyl)-3-propan-2-ylquinolin-7-ol;3-hydroxypropanoic acid (PubChem CID 156880459) has the molecular formula C21H23FN2O4 and a molecular weight of 386.42 g/mol. Its IUPAC name is 2-amino-4-(4-fluorophenyl)-3-propan-2-ylquinolin-7-ol;3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-amino-4-(4-fluorophenyl)-3-propan-2-ylquinolin-7-ol;3-hydroxypropanoic acid
PubChem CID156880459
Molecular FormulaC21H23FN2O4
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC Name2-amino-4-(4-fluorophenyl)-3-propan-2-ylquinolin-7-ol;3-hydroxypropanoic acid
SMILESCC(C)c1c(N)nc2cc(O)ccc2c1-c1ccc(F)cc1.O=C(O)CCO
InChIInChI=1S/C18H17FN2O.C3H6O3/c1-10(2)16-17(11-3-5-12(19)6-4-11)14-8-7-13(22)9-15(14)21-18(16)20;4-2-1-3(5)6/h3-10,22H,1-2H3,(H2,20,21);4H,1-2H2,(H,5,6)
InChIKeyBTIWSOZVYFUSLI-UHFFFAOYSA-N
XLogP3.91
TPSA116.67 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 53.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluorophenyl)-2-methyl-3-propan-2-ylquinolin-7-ol
CID 156880462
1-[[[4-(4-fluorophenyl)-7-hydroxy-3-propan-2-ylquinolin-2-yl]amino]methyl]cyclopropane-1-carboxylic acid
CID 156880509
(2R)-3-[4-(4-fluorophenyl)-7-hydroxy-3-(1-methoxypropan-2-yl)quinolin-2-yl]-2-methylpropanoic acid
CID 168754358
(2S)-3-[4-(4-fluorophenyl)-7-hydroxy-3-(1-methoxypropan-2-yl)quinolin-2-yl]-2-methylpropanoic acid
CID 168754342
methyl 2-[[4-(4-fluorophenyl)-7-hydroxy-3-propan-2-ylquinolin-2-yl]amino]-2-methylpropanoate
CID 175395950
3-[[4-(4-fluoro-3-methylphenyl)-7-hydroxy-3-propan-2-ylquinolin-2-yl]amino]cyclobutane-1-carboxylic acid
CID 156880068
2-[4-(4-fluorophenyl)-7-hydroxy-3-propan-2-ylisoquinolin-1-yl]oxypropanoic acid
CID 156880161
3-[[4-(4-fluoro-3-methylphenyl)-7-hydroxy-3-(1-hydroxypropan-2-yl)quinolin-2-yl]amino]cyclobutane-1-carboxylic acid
CID 156880303
(2R)-2-[[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinolin-7-yl]amino]propanoic acid
CID 156879875
(E,3S,5R)-7-[4-(4-fluorophenyl)-2-propan-2-ylquinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid
CID 14229349
4-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinolin-7-yl]benzoic acid
CID 156879828
(3S)-1-[4-(4-fluorophenyl)-7-hydroxy-3-(oxan-4-yl)quinolin-2-yl]pyrrolidine-3-carboxylic acid
CID 156879970

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-fluorophenyl)-3-propan-2-ylquinolin-7-ol;3-hydroxypropanoic acid?
The IUPAC name of 2-amino-4-(4-fluorophenyl)-3-propan-2-ylquinolin-7-ol;3-hydroxypropanoic acid (CID 156880459) is 2-amino-4-(4-fluorophenyl)-3-propan-2-ylquinolin-7-ol;3-hydroxypropanoic acid.
What is the SMILES notation for 2-amino-4-(4-fluorophenyl)-3-propan-2-ylquinolin-7-ol;3-hydroxypropanoic acid?
The canonical SMILES for 2-amino-4-(4-fluorophenyl)-3-propan-2-ylquinolin-7-ol;3-hydroxypropanoic acid is CC(C)c1c(N)nc2cc(O)ccc2c1-c1ccc(F)cc1.O=C(O)CCO.
What is the InChIKey of 2-amino-4-(4-fluorophenyl)-3-propan-2-ylquinolin-7-ol;3-hydroxypropanoic acid?
The InChIKey is BTIWSOZVYFUSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O.C3H6O3/c1-10(2)16-17(11-3-5-12(19)6-4-11)14-8-7-13(22)9-15(14)21-18(16)20;4-2-1-3(5)6/h3-10,22H,1-2H3,(H2,20,21);4H,1-2H2,(H,5,6).
What are the key properties of 2-amino-4-(4-fluorophenyl)-3-propan-2-ylquinolin-7-ol;3-hydroxypropanoic acid?
2-amino-4-(4-fluorophenyl)-3-propan-2-ylquinolin-7-ol;3-hydroxypropanoic acid has a molecular weight of 386.42 g/mol, XLogP of 3.91, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-fluorophenyl)-3-propan-2-ylquinolin-7-ol;3-hydroxypropanoic acid is sourced from PubChem (CID 156880459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).