[4-(4-fluoroquinolin-2-yl)phenyl]-methylcarbamic acid

C17H13FN2O2 — CID 66700251

IUPAC[4-(4-fluoroquinolin-2-yl)phenyl]-methylcarbamic acid
SMILESCN(C(=O)O)c1ccc(-c2cc(F)c3ccccc3n2)cc1
InChIInChI=1S/C17H13FN2O2/c1-20(17(21)22)12-8-6-11(7-9-12)16-10-14(18)13-4-2-3-5-15(13)19-16/h2-10H,1H3,(H,21,22)
InChIKeyDDJUJLNVXQJMQJ-UHFFFAOYSA-N
MW296.30 g/mol
LogP4.16
Rot. Bonds2

About [4-(4-fluoroquinolin-2-yl)phenyl]-methylcarbamic acid

[4-(4-fluoroquinolin-2-yl)phenyl]-methylcarbamic acid (PubChem CID 66700251) has the molecular formula C17H13FN2O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is [4-(4-fluoroquinolin-2-yl)phenyl]-methylcarbamic acid.

Molecular Properties

Compound Name[4-(4-fluoroquinolin-2-yl)phenyl]-methylcarbamic acid
PubChem CID66700251
Molecular FormulaC17H13FN2O2
Molecular Weight296.30 g/mol
Exact Mass296.10
IUPAC Name[4-(4-fluoroquinolin-2-yl)phenyl]-methylcarbamic acid
SMILESCN(C(=O)O)c1ccc(-c2cc(F)c3ccccc3n2)cc1
InChIInChI=1S/C17H13FN2O2/c1-20(17(21)22)12-8-6-11(7-9-12)16-10-14(18)13-4-2-3-5-15(13)19-16/h2-10H,1H3,(H,21,22)
InChIKeyDDJUJLNVXQJMQJ-UHFFFAOYSA-N
XLogP4.16
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluoroquinolin-2-yl)phenyl]-methylcarbamic acid?
The IUPAC name of [4-(4-fluoroquinolin-2-yl)phenyl]-methylcarbamic acid (CID 66700251) is [4-(4-fluoroquinolin-2-yl)phenyl]-methylcarbamic acid.
What is the SMILES notation for [4-(4-fluoroquinolin-2-yl)phenyl]-methylcarbamic acid?
The canonical SMILES for [4-(4-fluoroquinolin-2-yl)phenyl]-methylcarbamic acid is CN(C(=O)O)c1ccc(-c2cc(F)c3ccccc3n2)cc1.
What is the InChIKey of [4-(4-fluoroquinolin-2-yl)phenyl]-methylcarbamic acid?
The InChIKey is DDJUJLNVXQJMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2/c1-20(17(21)22)12-8-6-11(7-9-12)16-10-14(18)13-4-2-3-5-15(13)19-16/h2-10H,1H3,(H,21,22).
What are the key properties of [4-(4-fluoroquinolin-2-yl)phenyl]-methylcarbamic acid?
[4-(4-fluoroquinolin-2-yl)phenyl]-methylcarbamic acid has a molecular weight of 296.30 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluoroquinolin-2-yl)phenyl]-methylcarbamic acid is sourced from PubChem (CID 66700251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).