(3-chlorophenyl)-quinolin-8-ylcarbamic acid

C16H11ClN2O2 — CID 45280179

IUPAC(3-chlorophenyl)-quinolin-8-ylcarbamic acid
SMILESO=C(O)N(c1cccc(Cl)c1)c1cccc2cccnc12
InChIInChI=1S/C16H11ClN2O2/c17-12-6-2-7-13(10-12)19(16(20)21)14-8-1-4-11-5-3-9-18-15(11)14/h1-10H,(H,20,21)
InChIKeyQQBNBKRUSFJFIV-UHFFFAOYSA-N
MW298.73 g/mol
LogP4.70
Rot. Bonds2

About (3-chlorophenyl)-quinolin-8-ylcarbamic acid

(3-chlorophenyl)-quinolin-8-ylcarbamic acid (PubChem CID 45280179) has the molecular formula C16H11ClN2O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is (3-chlorophenyl)-quinolin-8-ylcarbamic acid.

Molecular Properties

Compound Name(3-chlorophenyl)-quinolin-8-ylcarbamic acid
PubChem CID45280179
Molecular FormulaC16H11ClN2O2
Molecular Weight298.73 g/mol
Exact Mass298.05
IUPAC Name(3-chlorophenyl)-quinolin-8-ylcarbamic acid
SMILESO=C(O)N(c1cccc(Cl)c1)c1cccc2cccnc12
InChIInChI=1S/C16H11ClN2O2/c17-12-6-2-7-13(10-12)19(16(20)21)14-8-1-4-11-5-3-9-18-15(11)14/h1-10H,(H,20,21)
InChIKeyQQBNBKRUSFJFIV-UHFFFAOYSA-N
XLogP4.70
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-quinolin-8-ylcarbamic acid?
The IUPAC name of (3-chlorophenyl)-quinolin-8-ylcarbamic acid (CID 45280179) is (3-chlorophenyl)-quinolin-8-ylcarbamic acid.
What is the SMILES notation for (3-chlorophenyl)-quinolin-8-ylcarbamic acid?
The canonical SMILES for (3-chlorophenyl)-quinolin-8-ylcarbamic acid is O=C(O)N(c1cccc(Cl)c1)c1cccc2cccnc12.
What is the InChIKey of (3-chlorophenyl)-quinolin-8-ylcarbamic acid?
The InChIKey is QQBNBKRUSFJFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O2/c17-12-6-2-7-13(10-12)19(16(20)21)14-8-1-4-11-5-3-9-18-15(11)14/h1-10H,(H,20,21).
What are the key properties of (3-chlorophenyl)-quinolin-8-ylcarbamic acid?
(3-chlorophenyl)-quinolin-8-ylcarbamic acid has a molecular weight of 298.73 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-quinolin-8-ylcarbamic acid is sourced from PubChem (CID 45280179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).