7-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid

C19H22FN3O4 — CID 69170614

IUPAC7-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCN(c2c(C(=O)O)cnc3cc(F)ccc23)CC1
InChIInChI=1S/C19H22FN3O4/c1-19(2,3)27-18(26)23-8-6-22(7-9-23)16-13-5-4-12(20)10-15(13)21-11-14(16)17(24)25/h4-5,10-11H,6-9H2,1-3H3,(H,24,25)
InChIKeyAWRMFHSAOGENKT-UHFFFAOYSA-N
MW375.40 g/mol
LogP3.13
Rot. Bonds2

About 7-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid

7-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid (PubChem CID 69170614) has the molecular formula C19H22FN3O4 and a molecular weight of 375.40 g/mol. Its IUPAC name is 7-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid
PubChem CID69170614
Molecular FormulaC19H22FN3O4
Molecular Weight375.40 g/mol
Exact Mass375.16
IUPAC Name7-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCN(c2c(C(=O)O)cnc3cc(F)ccc23)CC1
InChIInChI=1S/C19H22FN3O4/c1-19(2,3)27-18(26)23-8-6-22(7-9-23)16-13-5-4-12(20)10-15(13)21-11-14(16)17(24)25/h4-5,10-11H,6-9H2,1-3H3,(H,24,25)
InChIKeyAWRMFHSAOGENKT-UHFFFAOYSA-N
XLogP3.13
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid with MolForge

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Related Compounds

4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-7-(trifluoromethyl)quinoline-3-carboxylic acid
CID 69169231
tert-butyl 3-[4-(7-fluoroquinolin-4-yl)piperazine-1-carbonyl]azetidine-1-carboxylate
CID 166110568
tert-butyl 4-(6-fluoroquinolin-4-yl)piperazine-1-carboxylate
CID 121318185
tert-butyl 4-(2-bromo-6-fluoro-1-benzothiophen-3-yl)piperazine-1-carboxylate
CID 58817714
tert-butyl 4-(2,4-difluorophenyl)piperazine-1-carboxylate
CID 113079908
tert-butyl (3S)-3-[4-(7-fluoroquinolin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxylate;sulfane
CID 167584254
1-O-tert-butyl 4-O-methyl 4-(7-fluoroquinazolin-4-yl)piperidine-1,4-dicarboxylate
CID 59551761
2,4-difluoro-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid
CID 135346608
2-fluoro-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid
CID 66765352
6-methoxy-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridazine-4-carboxylic acid
CID 143755941
tert-butyl 4-[2-(4-fluorophenyl)-3,4-dioxocyclobuten-1-yl]piperazine-1-carboxylate
CID 88563088
4-[(5-fluoro-2-pyridinyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 135397639

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid?
The IUPAC name of 7-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid (CID 69170614) is 7-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid.
What is the SMILES notation for 7-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid?
The canonical SMILES for 7-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid is CC(C)(C)OC(=O)N1CCN(c2c(C(=O)O)cnc3cc(F)ccc23)CC1.
What is the InChIKey of 7-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid?
The InChIKey is AWRMFHSAOGENKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O4/c1-19(2,3)27-18(26)23-8-6-22(7-9-23)16-13-5-4-12(20)10-15(13)21-11-14(16)17(24)25/h4-5,10-11H,6-9H2,1-3H3,(H,24,25).
What are the key properties of 7-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid?
7-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid has a molecular weight of 375.40 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid is sourced from PubChem (CID 69170614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).