7-chloroquinoline-3-carboxylic acid;(7-chloroquinolin-3-yl)methanol

C20H14Cl2N2O3 — CID 121365151

IUPAC7-chloroquinoline-3-carboxylic acid;(7-chloroquinolin-3-yl)methanol
SMILESO=C(O)c1cnc2cc(Cl)ccc2c1.OCc1cnc2cc(Cl)ccc2c1
InChIInChI=1S/C10H6ClNO2.C10H8ClNO/c11-8-2-1-6-3-7(10(13)14)5-12-9(6)4-8;11-9-2-1-8-3-7(6-13)5-12-10(8)4-9/h1-5H,(H,13,14);1-5,13H,6H2
InChIKeyKBOOLPGYWLSCIT-UHFFFAOYSA-N
MW401.25 g/mol
LogP4.97
Rot. Bonds2

About 7-chloroquinoline-3-carboxylic acid;(7-chloroquinolin-3-yl)methanol

7-chloroquinoline-3-carboxylic acid;(7-chloroquinolin-3-yl)methanol (PubChem CID 121365151) has the molecular formula C20H14Cl2N2O3 and a molecular weight of 401.25 g/mol. Its IUPAC name is 7-chloroquinoline-3-carboxylic acid;(7-chloroquinolin-3-yl)methanol.

Molecular Properties

Compound Name7-chloroquinoline-3-carboxylic acid;(7-chloroquinolin-3-yl)methanol
PubChem CID121365151
Molecular FormulaC20H14Cl2N2O3
Molecular Weight401.25 g/mol
Exact Mass400.04
IUPAC Name7-chloroquinoline-3-carboxylic acid;(7-chloroquinolin-3-yl)methanol
SMILESO=C(O)c1cnc2cc(Cl)ccc2c1.OCc1cnc2cc(Cl)ccc2c1
InChIInChI=1S/C10H6ClNO2.C10H8ClNO/c11-8-2-1-6-3-7(10(13)14)5-12-9(6)4-8;11-9-2-1-8-3-7(6-13)5-12-10(8)4-9/h1-5H,(H,13,14);1-5,13H,6H2
InChIKeyKBOOLPGYWLSCIT-UHFFFAOYSA-N
XLogP4.97
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.25
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloroquinoline-3-carboxylic acid;(7-chloroquinolin-3-yl)methanol?
The IUPAC name of 7-chloroquinoline-3-carboxylic acid;(7-chloroquinolin-3-yl)methanol (CID 121365151) is 7-chloroquinoline-3-carboxylic acid;(7-chloroquinolin-3-yl)methanol.
What is the SMILES notation for 7-chloroquinoline-3-carboxylic acid;(7-chloroquinolin-3-yl)methanol?
The canonical SMILES for 7-chloroquinoline-3-carboxylic acid;(7-chloroquinolin-3-yl)methanol is O=C(O)c1cnc2cc(Cl)ccc2c1.OCc1cnc2cc(Cl)ccc2c1.
What is the InChIKey of 7-chloroquinoline-3-carboxylic acid;(7-chloroquinolin-3-yl)methanol?
The InChIKey is KBOOLPGYWLSCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO2.C10H8ClNO/c11-8-2-1-6-3-7(10(13)14)5-12-9(6)4-8;11-9-2-1-8-3-7(6-13)5-12-10(8)4-9/h1-5H,(H,13,14);1-5,13H,6H2.
What are the key properties of 7-chloroquinoline-3-carboxylic acid;(7-chloroquinolin-3-yl)methanol?
7-chloroquinoline-3-carboxylic acid;(7-chloroquinolin-3-yl)methanol has a molecular weight of 401.25 g/mol, XLogP of 4.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloroquinoline-3-carboxylic acid;(7-chloroquinolin-3-yl)methanol is sourced from PubChem (CID 121365151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).