1-[7-fluoro-8-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinolin-3-yl]ethylcarbamic acid

C22H24FN5O2 — CID 71183555

IUPAC1-[7-fluoro-8-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinolin-3-yl]ethylcarbamic acid
SMILESCc1c(F)ccc2cc(C(C)NC(=O)O)c(N3CCN(c4ccccn4)CC3)nc12
InChIInChI=1S/C22H24FN5O2/c1-14-18(23)7-6-16-13-17(15(2)25-22(29)30)21(26-20(14)16)28-11-9-27(10-12-28)19-5-3-4-8-24-19/h3-8,13,15,25H,9-12H2,1-2H3,(H,29,30)
InChIKeyWCMLFTWMDWNQHJ-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.73
Rot. Bonds4

About 1-[7-fluoro-8-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinolin-3-yl]ethylcarbamic acid

1-[7-fluoro-8-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinolin-3-yl]ethylcarbamic acid (PubChem CID 71183555) has the molecular formula C22H24FN5O2 and a molecular weight of 409.47 g/mol. Its IUPAC name is 1-[7-fluoro-8-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinolin-3-yl]ethylcarbamic acid.

Molecular Properties

Compound Name1-[7-fluoro-8-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinolin-3-yl]ethylcarbamic acid
PubChem CID71183555
Molecular FormulaC22H24FN5O2
Molecular Weight409.47 g/mol
Exact Mass409.19
IUPAC Name1-[7-fluoro-8-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinolin-3-yl]ethylcarbamic acid
SMILESCc1c(F)ccc2cc(C(C)NC(=O)O)c(N3CCN(c4ccccn4)CC3)nc12
InChIInChI=1S/C22H24FN5O2/c1-14-18(23)7-6-16-13-17(15(2)25-22(29)30)21(26-20(14)16)28-11-9-27(10-12-28)19-5-3-4-8-24-19/h3-8,13,15,25H,9-12H2,1-2H3,(H,29,30)
InChIKeyWCMLFTWMDWNQHJ-UHFFFAOYSA-N
XLogP3.73
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[7-fluoro-8-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinolin-3-yl]ethylcarbamic acid?
The IUPAC name of 1-[7-fluoro-8-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinolin-3-yl]ethylcarbamic acid (CID 71183555) is 1-[7-fluoro-8-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinolin-3-yl]ethylcarbamic acid.
What is the SMILES notation for 1-[7-fluoro-8-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinolin-3-yl]ethylcarbamic acid?
The canonical SMILES for 1-[7-fluoro-8-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinolin-3-yl]ethylcarbamic acid is Cc1c(F)ccc2cc(C(C)NC(=O)O)c(N3CCN(c4ccccn4)CC3)nc12.
What is the InChIKey of 1-[7-fluoro-8-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinolin-3-yl]ethylcarbamic acid?
The InChIKey is WCMLFTWMDWNQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O2/c1-14-18(23)7-6-16-13-17(15(2)25-22(29)30)21(26-20(14)16)28-11-9-27(10-12-28)19-5-3-4-8-24-19/h3-8,13,15,25H,9-12H2,1-2H3,(H,29,30).
What are the key properties of 1-[7-fluoro-8-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinolin-3-yl]ethylcarbamic acid?
1-[7-fluoro-8-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinolin-3-yl]ethylcarbamic acid has a molecular weight of 409.47 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-fluoro-8-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinolin-3-yl]ethylcarbamic acid is sourced from PubChem (CID 71183555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).