4-chloro-6-fluoro-7-methoxy-2-(6-pyrrolidin-1-yl-3-pyridinyl)quinoline

C19H17ClFN3O — CID 177174040

IUPAC4-chloro-6-fluoro-7-methoxy-2-(6-pyrrolidin-1-yl-3-pyridinyl)quinoline
SMILESCOc1cc2nc(-c3ccc(N4CCCC4)nc3)cc(Cl)c2cc1F
InChIInChI=1S/C19H17ClFN3O/c1-25-18-10-17-13(8-15(18)21)14(20)9-16(23-17)12-4-5-19(22-11-12)24-6-2-3-7-24/h4-5,8-11H,2-3,6-7H2,1H3
InChIKeyYCPWKBLZLAGGFU-UHFFFAOYSA-N
MW357.82 g/mol
LogP4.70
Rot. Bonds3

About 4-chloro-6-fluoro-7-methoxy-2-(6-pyrrolidin-1-yl-3-pyridinyl)quinoline

4-chloro-6-fluoro-7-methoxy-2-(6-pyrrolidin-1-yl-3-pyridinyl)quinoline (PubChem CID 177174040) has the molecular formula C19H17ClFN3O and a molecular weight of 357.82 g/mol. Its IUPAC name is 4-chloro-6-fluoro-7-methoxy-2-(6-pyrrolidin-1-yl-3-pyridinyl)quinoline.

Molecular Properties

Compound Name4-chloro-6-fluoro-7-methoxy-2-(6-pyrrolidin-1-yl-3-pyridinyl)quinoline
PubChem CID177174040
Molecular FormulaC19H17ClFN3O
Molecular Weight357.82 g/mol
Exact Mass357.10
IUPAC Name4-chloro-6-fluoro-7-methoxy-2-(6-pyrrolidin-1-yl-3-pyridinyl)quinoline
SMILESCOc1cc2nc(-c3ccc(N4CCCC4)nc3)cc(Cl)c2cc1F
InChIInChI=1S/C19H17ClFN3O/c1-25-18-10-17-13(8-15(18)21)14(20)9-16(23-17)12-4-5-19(22-11-12)24-6-2-3-7-24/h4-5,8-11H,2-3,6-7H2,1H3
InChIKeyYCPWKBLZLAGGFU-UHFFFAOYSA-N
XLogP4.70
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.82
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(azetidin-1-yl)-3-pyridinyl]-4-chloro-6-fluoro-7-methoxyquinoline
CID 177172502
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
7-(4-fluoro-2-methoxyphenyl)-2-piperidin-1-ylquinoxaline
CID 174665552

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-fluoro-7-methoxy-2-(6-pyrrolidin-1-yl-3-pyridinyl)quinoline?
The IUPAC name of 4-chloro-6-fluoro-7-methoxy-2-(6-pyrrolidin-1-yl-3-pyridinyl)quinoline (CID 177174040) is 4-chloro-6-fluoro-7-methoxy-2-(6-pyrrolidin-1-yl-3-pyridinyl)quinoline.
What is the SMILES notation for 4-chloro-6-fluoro-7-methoxy-2-(6-pyrrolidin-1-yl-3-pyridinyl)quinoline?
The canonical SMILES for 4-chloro-6-fluoro-7-methoxy-2-(6-pyrrolidin-1-yl-3-pyridinyl)quinoline is COc1cc2nc(-c3ccc(N4CCCC4)nc3)cc(Cl)c2cc1F.
What is the InChIKey of 4-chloro-6-fluoro-7-methoxy-2-(6-pyrrolidin-1-yl-3-pyridinyl)quinoline?
The InChIKey is YCPWKBLZLAGGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O/c1-25-18-10-17-13(8-15(18)21)14(20)9-16(23-17)12-4-5-19(22-11-12)24-6-2-3-7-24/h4-5,8-11H,2-3,6-7H2,1H3.
What are the key properties of 4-chloro-6-fluoro-7-methoxy-2-(6-pyrrolidin-1-yl-3-pyridinyl)quinoline?
4-chloro-6-fluoro-7-methoxy-2-(6-pyrrolidin-1-yl-3-pyridinyl)quinoline has a molecular weight of 357.82 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-fluoro-7-methoxy-2-(6-pyrrolidin-1-yl-3-pyridinyl)quinoline is sourced from PubChem (CID 177174040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).