methyl 2-[[4-(4-fluorophenyl)-7-hydroxy-3-propan-2-ylquinolin-2-yl]amino]-2-methylpropanoate

C23H25FN2O3 — CID 175395950

IUPACmethyl 2-[[4-(4-fluorophenyl)-7-hydroxy-3-propan-2-ylquinolin-2-yl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)Nc1nc2cc(O)ccc2c(-c2ccc(F)cc2)c1C(C)C
InChIInChI=1S/C23H25FN2O3/c1-13(2)19-20(14-6-8-15(24)9-7-14)17-11-10-16(27)12-18(17)25-21(19)26-23(3,4)22(28)29-5/h6-13,27H,1-5H3,(H,25,26)
InChIKeyUOKLVHQPGGGXRV-UHFFFAOYSA-N
MW396.46 g/mol
LogP5.23
Rot. Bonds5

About methyl 2-[[4-(4-fluorophenyl)-7-hydroxy-3-propan-2-ylquinolin-2-yl]amino]-2-methylpropanoate

methyl 2-[[4-(4-fluorophenyl)-7-hydroxy-3-propan-2-ylquinolin-2-yl]amino]-2-methylpropanoate (PubChem CID 175395950) has the molecular formula C23H25FN2O3 and a molecular weight of 396.46 g/mol. Its IUPAC name is methyl 2-[[4-(4-fluorophenyl)-7-hydroxy-3-propan-2-ylquinolin-2-yl]amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[4-(4-fluorophenyl)-7-hydroxy-3-propan-2-ylquinolin-2-yl]amino]-2-methylpropanoate
PubChem CID175395950
Molecular FormulaC23H25FN2O3
Molecular Weight396.46 g/mol
Exact Mass396.18
IUPAC Namemethyl 2-[[4-(4-fluorophenyl)-7-hydroxy-3-propan-2-ylquinolin-2-yl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)Nc1nc2cc(O)ccc2c(-c2ccc(F)cc2)c1C(C)C
InChIInChI=1S/C23H25FN2O3/c1-13(2)19-20(14-6-8-15(24)9-7-14)17-11-10-16(27)12-18(17)25-21(19)26-23(3,4)22(28)29-5/h6-13,27H,1-5H3,(H,25,26)
InChIKeyUOKLVHQPGGGXRV-UHFFFAOYSA-N
XLogP5.23
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.46
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[4-(4-fluorophenyl)-7-hydroxy-3-propan-2-ylquinolin-2-yl]amino]-2-methylpropanoate with MolForge

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Related Compounds

2-[(2,3-Dimethylphenyl)amino]-4-methylquinolin-5-ol
CID 135521448
2-(4-Ethylanilino)-4-methylquinolin-7-ol;hydrochloride
CID 135971382
2-(3,4-Dimethylanilino)-4-methylquinolin-7-ol;hydrochloride
CID 135472789
2-(Benzylamino)-4-methylquinolin-7-ol
CID 135857476
2-(3-Fluoro-4-Methyl-Anilino)-4-Methyl-Quinolin-5-Ol
CID 135567046
4-Methyl-2-morpholin-4-ylquinolin-7-ol
CID 5307155
2-[(4-Methoxyphenyl)amino]-4-methylquinolin-7-ol
CID 135472797
2-Anilino-4-methylquinolin-7-ol
CID 135521524
2-[4-(2-Fluorophenyl)piperazin-1-yl]-4-methylquinolin-7-ol
CID 135544635
2-(4-Hydroxyanilino)-4-methylquinolin-5-ol
CID 135609778
2-[(4-Fluorophenyl)methylamino]-4-methylquinolin-7-ol
CID 135609781
2-(4-Hydroxyanilino)-4-methylquinolin-7-ol;hydrochloride
CID 135857461

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(4-fluorophenyl)-7-hydroxy-3-propan-2-ylquinolin-2-yl]amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[[4-(4-fluorophenyl)-7-hydroxy-3-propan-2-ylquinolin-2-yl]amino]-2-methylpropanoate (CID 175395950) is methyl 2-[[4-(4-fluorophenyl)-7-hydroxy-3-propan-2-ylquinolin-2-yl]amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[[4-(4-fluorophenyl)-7-hydroxy-3-propan-2-ylquinolin-2-yl]amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[[4-(4-fluorophenyl)-7-hydroxy-3-propan-2-ylquinolin-2-yl]amino]-2-methylpropanoate is COC(=O)C(C)(C)Nc1nc2cc(O)ccc2c(-c2ccc(F)cc2)c1C(C)C.
What is the InChIKey of methyl 2-[[4-(4-fluorophenyl)-7-hydroxy-3-propan-2-ylquinolin-2-yl]amino]-2-methylpropanoate?
The InChIKey is UOKLVHQPGGGXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3/c1-13(2)19-20(14-6-8-15(24)9-7-14)17-11-10-16(27)12-18(17)25-21(19)26-23(3,4)22(28)29-5/h6-13,27H,1-5H3,(H,25,26).
What are the key properties of methyl 2-[[4-(4-fluorophenyl)-7-hydroxy-3-propan-2-ylquinolin-2-yl]amino]-2-methylpropanoate?
methyl 2-[[4-(4-fluorophenyl)-7-hydroxy-3-propan-2-ylquinolin-2-yl]amino]-2-methylpropanoate has a molecular weight of 396.46 g/mol, XLogP of 5.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(4-fluorophenyl)-7-hydroxy-3-propan-2-ylquinolin-2-yl]amino]-2-methylpropanoate is sourced from PubChem (CID 175395950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).