2-[6-(azetidin-1-yl)-3-pyridinyl]-4-chloro-6-fluoro-7-methoxyquinoline

C18H15ClFN3O — CID 177172502

IUPAC2-[6-(azetidin-1-yl)-3-pyridinyl]-4-chloro-6-fluoro-7-methoxyquinoline
SMILESCOc1cc2nc(-c3ccc(N4CCC4)nc3)cc(Cl)c2cc1F
InChIInChI=1S/C18H15ClFN3O/c1-24-17-9-16-12(7-14(17)20)13(19)8-15(22-16)11-3-4-18(21-10-11)23-5-2-6-23/h3-4,7-10H,2,5-6H2,1H3
InChIKeyKQTJGIHDEHIGHV-UHFFFAOYSA-N
MW343.79 g/mol
LogP4.31
Rot. Bonds3

About 2-[6-(azetidin-1-yl)-3-pyridinyl]-4-chloro-6-fluoro-7-methoxyquinoline

2-[6-(azetidin-1-yl)-3-pyridinyl]-4-chloro-6-fluoro-7-methoxyquinoline (PubChem CID 177172502) has the molecular formula C18H15ClFN3O and a molecular weight of 343.79 g/mol. Its IUPAC name is 2-[6-(azetidin-1-yl)-3-pyridinyl]-4-chloro-6-fluoro-7-methoxyquinoline.

Molecular Properties

Compound Name2-[6-(azetidin-1-yl)-3-pyridinyl]-4-chloro-6-fluoro-7-methoxyquinoline
PubChem CID177172502
Molecular FormulaC18H15ClFN3O
Molecular Weight343.79 g/mol
Exact Mass343.09
IUPAC Name2-[6-(azetidin-1-yl)-3-pyridinyl]-4-chloro-6-fluoro-7-methoxyquinoline
SMILESCOc1cc2nc(-c3ccc(N4CCC4)nc3)cc(Cl)c2cc1F
InChIInChI=1S/C18H15ClFN3O/c1-24-17-9-16-12(7-14(17)20)13(19)8-15(22-16)11-3-4-18(21-10-11)23-5-2-6-23/h3-4,7-10H,2,5-6H2,1H3
InChIKeyKQTJGIHDEHIGHV-UHFFFAOYSA-N
XLogP4.31
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-fluoro-7-methoxy-2-(6-pyrrolidin-1-yl-3-pyridinyl)quinoline
CID 177174040
5-(4-chloro-6-fluoro-7-methoxyquinolin-2-yl)pyridin-2-amine
CID 177173158
2-[6-(azetidin-1-yl)-3-pyridinyl]-6,7-dimethoxy-4-pyrrolidin-1-ylquinoline
CID 177174184
[1-[2-[6-(azetidin-1-yl)-3-pyridinyl]-6-fluoro-7-methoxyquinolin-4-yl]pyrrolidin-3-yl]methanol
CID 177174104
2-(azetidin-1-yl)-5-(4-chloro-6-fluoro-7-methoxyquinolin-2-yl)-1,3-thiazole
CID 177172657
7-[2-[6-(azetidin-1-yl)-3-pyridinyl]-6-fluoro-7-methoxyquinolin-4-yl]-3-methyl-2λ6-thia-3,7-diazaspiro[4.4]nonane 2,2-dioxide
CID 177173104
tert-butyl 4-[5-[4-[3-(dimethylamino)propylamino]-6-fluoro-7-methoxyquinolin-2-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 177172504
6-bromo-4-chloro-2-(6-piperazin-1-yl-3-pyridinyl)quinoline
CID 177172662
4-chloro-N,N-dimethyl-2-(6-piperazin-1-yl-3-pyridinyl)quinolin-7-amine
CID 177172690
6-chloro-7-methoxy-2-(6-morpholin-4-yl-3-pyridinyl)-3H-quinazolin-4-one
CID 167813656
5-chloro-6-fluoro-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-benzimidazole
CID 130271317
1,4-bis[5-(3,5-dimethoxy-4-propan-2-yloxyphenyl)-2-pyridinyl]-1,4-diazepane;methanesulfonic acid
CID 20634982

Frequently Asked Questions

What is the IUPAC name of 2-[6-(azetidin-1-yl)-3-pyridinyl]-4-chloro-6-fluoro-7-methoxyquinoline?
The IUPAC name of 2-[6-(azetidin-1-yl)-3-pyridinyl]-4-chloro-6-fluoro-7-methoxyquinoline (CID 177172502) is 2-[6-(azetidin-1-yl)-3-pyridinyl]-4-chloro-6-fluoro-7-methoxyquinoline.
What is the SMILES notation for 2-[6-(azetidin-1-yl)-3-pyridinyl]-4-chloro-6-fluoro-7-methoxyquinoline?
The canonical SMILES for 2-[6-(azetidin-1-yl)-3-pyridinyl]-4-chloro-6-fluoro-7-methoxyquinoline is COc1cc2nc(-c3ccc(N4CCC4)nc3)cc(Cl)c2cc1F.
What is the InChIKey of 2-[6-(azetidin-1-yl)-3-pyridinyl]-4-chloro-6-fluoro-7-methoxyquinoline?
The InChIKey is KQTJGIHDEHIGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O/c1-24-17-9-16-12(7-14(17)20)13(19)8-15(22-16)11-3-4-18(21-10-11)23-5-2-6-23/h3-4,7-10H,2,5-6H2,1H3.
What are the key properties of 2-[6-(azetidin-1-yl)-3-pyridinyl]-4-chloro-6-fluoro-7-methoxyquinoline?
2-[6-(azetidin-1-yl)-3-pyridinyl]-4-chloro-6-fluoro-7-methoxyquinoline has a molecular weight of 343.79 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(azetidin-1-yl)-3-pyridinyl]-4-chloro-6-fluoro-7-methoxyquinoline is sourced from PubChem (CID 177172502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).