2-[2-[(8-chloroquinolin-2-yl)amino]-3-pyridinyl]phenol

C20H14ClN3O — CID 174719471

IUPAC2-[2-[(8-chloroquinolin-2-yl)amino]-3-pyridinyl]phenol
SMILESOc1ccccc1-c1cccnc1Nc1ccc2cccc(Cl)c2n1
InChIInChI=1S/C20H14ClN3O/c21-16-8-3-5-13-10-11-18(23-19(13)16)24-20-15(7-4-12-22-20)14-6-1-2-9-17(14)25/h1-12,25H,(H,22,23,24)
InChIKeyUDQMTBJNRKRRBS-UHFFFAOYSA-N
MW347.81 g/mol
LogP5.40
Rot. Bonds3

About 2-[2-[(8-chloroquinolin-2-yl)amino]-3-pyridinyl]phenol

2-[2-[(8-chloroquinolin-2-yl)amino]-3-pyridinyl]phenol (PubChem CID 174719471) has the molecular formula C20H14ClN3O and a molecular weight of 347.81 g/mol. Its IUPAC name is 2-[2-[(8-chloroquinolin-2-yl)amino]-3-pyridinyl]phenol.

Molecular Properties

Compound Name2-[2-[(8-chloroquinolin-2-yl)amino]-3-pyridinyl]phenol
PubChem CID174719471
Molecular FormulaC20H14ClN3O
Molecular Weight347.81 g/mol
Exact Mass347.08
IUPAC Name2-[2-[(8-chloroquinolin-2-yl)amino]-3-pyridinyl]phenol
SMILESOc1ccccc1-c1cccnc1Nc1ccc2cccc(Cl)c2n1
InChIInChI=1S/C20H14ClN3O/c21-16-8-3-5-13-10-11-18(23-19(13)16)24-20-15(7-4-12-22-20)14-6-1-2-9-17(14)25/h1-12,25H,(H,22,23,24)
InChIKeyUDQMTBJNRKRRBS-UHFFFAOYSA-N
XLogP5.40
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.81
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(8-chloroquinolin-2-yl)-4-methylpyridine-2,3-diamine
CID 67127340
N-[2-[(8-chloroquinolin-2-yl)amino]phenyl]acetamide
CID 177312706
N-phenyl-1,10-phenanthrolin-2-amine
CID 132850503
N-chloro-1,10-phenanthrolin-2-amine
CID 90121840
8-chloroquinoline;ethane
CID 142246255
2-chloroaniline;quinolin-8-ol
CID 70504979
8-fluoro-N-pyridin-2-ylquinolin-2-amine
CID 154949087
5-[(8-chloroquinolin-2-yl)amino]-1H-pyrazole-4-carboxamide
CID 11694919
dichlorocopper;hydrogen peroxide;1,10-phenanthroline
CID 158916437
quinolin-8-ol;yttrium
CID 174635627
CID 54604144
CID 54604144
8-chloro-N-(4-ethoxy-2,6-dimethylphenyl)quinolin-2-amine
CID 146299494

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(8-chloroquinolin-2-yl)amino]-3-pyridinyl]phenol?
The IUPAC name of 2-[2-[(8-chloroquinolin-2-yl)amino]-3-pyridinyl]phenol (CID 174719471) is 2-[2-[(8-chloroquinolin-2-yl)amino]-3-pyridinyl]phenol.
What is the SMILES notation for 2-[2-[(8-chloroquinolin-2-yl)amino]-3-pyridinyl]phenol?
The canonical SMILES for 2-[2-[(8-chloroquinolin-2-yl)amino]-3-pyridinyl]phenol is Oc1ccccc1-c1cccnc1Nc1ccc2cccc(Cl)c2n1.
What is the InChIKey of 2-[2-[(8-chloroquinolin-2-yl)amino]-3-pyridinyl]phenol?
The InChIKey is UDQMTBJNRKRRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O/c21-16-8-3-5-13-10-11-18(23-19(13)16)24-20-15(7-4-12-22-20)14-6-1-2-9-17(14)25/h1-12,25H,(H,22,23,24).
What are the key properties of 2-[2-[(8-chloroquinolin-2-yl)amino]-3-pyridinyl]phenol?
2-[2-[(8-chloroquinolin-2-yl)amino]-3-pyridinyl]phenol has a molecular weight of 347.81 g/mol, XLogP of 5.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(8-chloroquinolin-2-yl)amino]-3-pyridinyl]phenol is sourced from PubChem (CID 174719471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).