[5-(3,4-dichloro-7-fluoro-2-methylquinolin-6-yl)-2-pyridinyl]-dimethylphosphane

C17H14Cl2FN2P — CID 170446520

IUPAC[5-(3,4-dichloro-7-fluoro-2-methylquinolin-6-yl)-2-pyridinyl]-dimethylphosphane
SMILESCc1nc2cc(F)c(-c3ccc(P(C)C)nc3)cc2c(Cl)c1Cl
InChIInChI=1S/C17H14Cl2FN2P/c1-9-16(18)17(19)12-6-11(13(20)7-14(12)22-9)10-4-5-15(21-8-10)23(2)3/h4-8H,1-3H3
InChIKeySUZWFVFSPJZJOT-UHFFFAOYSA-N
MW367.19 g/mol
LogP5.42
Rot. Bonds2

About [5-(3,4-dichloro-7-fluoro-2-methylquinolin-6-yl)-2-pyridinyl]-dimethylphosphane

[5-(3,4-dichloro-7-fluoro-2-methylquinolin-6-yl)-2-pyridinyl]-dimethylphosphane (PubChem CID 170446520) has the molecular formula C17H14Cl2FN2P and a molecular weight of 367.19 g/mol. Its IUPAC name is [5-(3,4-dichloro-7-fluoro-2-methylquinolin-6-yl)-2-pyridinyl]-dimethylphosphane.

Molecular Properties

Compound Name[5-(3,4-dichloro-7-fluoro-2-methylquinolin-6-yl)-2-pyridinyl]-dimethylphosphane
PubChem CID170446520
Molecular FormulaC17H14Cl2FN2P
Molecular Weight367.19 g/mol
Exact Mass366.03
IUPAC Name[5-(3,4-dichloro-7-fluoro-2-methylquinolin-6-yl)-2-pyridinyl]-dimethylphosphane
SMILESCc1nc2cc(F)c(-c3ccc(P(C)C)nc3)cc2c(Cl)c1Cl
InChIInChI=1S/C17H14Cl2FN2P/c1-9-16(18)17(19)12-6-11(13(20)7-14(12)22-9)10-4-5-15(21-8-10)23(2)3/h4-8H,1-3H3
InChIKeySUZWFVFSPJZJOT-UHFFFAOYSA-N
XLogP5.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.19
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-[5-(3,4-dichloro-7-fluoro-2-methylquinolin-6-yl)-2-pyridinyl]-1,4-oxaphosphinan-4-ium 4-oxide
CID 175969126
3,4-dichloro-6-(6-dimethylphosphoryl-5-fluoro-3-pyridinyl)-7-fluoro-2-methylquinoline
CID 170438239
[5-(7,8-dichloro-6-methyl-1,5-naphthyridin-2-yl)-2-pyridinyl]-dimethylphosphane
CID 170447427
[5-(7,8-dichloro-3-fluoro-6-methyl-1,5-naphthyridin-2-yl)pyrimidin-2-yl]-dimethylphosphane
CID 170446076
3-chloro-N-[1-(2,3-difluorophenyl)propyl]-6-(2-dimethylphosphanylpyrimidin-5-yl)-7-fluoro-2-methylquinolin-4-amine
CID 170449424
3-[[[3-chloro-6-(2-dimethylphosphanylpyrimidin-5-yl)-7-fluoro-2-methylquinolin-4-yl]amino]methyl]-4-fluorobenzonitrile
CID 170446409
3,4-dichloro-2,6-dimethylquinoline
CID 54483448
3-chloro-6-[6-(dimethylphosphorylmethoxy)-3-pyridinyl]-7-fluoro-N-[1-(2-fluorophenyl)ethyl]-2-methylquinolin-4-amine
CID 170438109
4-chloro-6,7-difluoro-2-methyl-3-propan-2-ylquinoline
CID 62913699
[5-(7,8-dichloro-3-fluoro-6-methyl-1,5-naphthyridin-2-yl)pyrimidin-2-yl]oxymethyl-dimethylphosphane
CID 170449520
3-chloro-N-[(3-chloro-5-fluorophenyl)methyl]-6-[6-[ethyl(methyl)phosphanyl]-3-pyridinyl]-7-fluoro-2-methyl-1,5-naphthyridin-4-amine
CID 170449612
3-chloro-N-[(1R)-1-(2,3-difluorophenyl)ethyl]-7-fluoro-2-methyl-6-[6-(4-oxo-1,4λ5-oxaphosphinan-4-yl)-3-pyridinyl]quinolin-4-amine
CID 170445553

Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dichloro-7-fluoro-2-methylquinolin-6-yl)-2-pyridinyl]-dimethylphosphane?
The IUPAC name of [5-(3,4-dichloro-7-fluoro-2-methylquinolin-6-yl)-2-pyridinyl]-dimethylphosphane (CID 170446520) is [5-(3,4-dichloro-7-fluoro-2-methylquinolin-6-yl)-2-pyridinyl]-dimethylphosphane.
What is the SMILES notation for [5-(3,4-dichloro-7-fluoro-2-methylquinolin-6-yl)-2-pyridinyl]-dimethylphosphane?
The canonical SMILES for [5-(3,4-dichloro-7-fluoro-2-methylquinolin-6-yl)-2-pyridinyl]-dimethylphosphane is Cc1nc2cc(F)c(-c3ccc(P(C)C)nc3)cc2c(Cl)c1Cl.
What is the InChIKey of [5-(3,4-dichloro-7-fluoro-2-methylquinolin-6-yl)-2-pyridinyl]-dimethylphosphane?
The InChIKey is SUZWFVFSPJZJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2FN2P/c1-9-16(18)17(19)12-6-11(13(20)7-14(12)22-9)10-4-5-15(21-8-10)23(2)3/h4-8H,1-3H3.
What are the key properties of [5-(3,4-dichloro-7-fluoro-2-methylquinolin-6-yl)-2-pyridinyl]-dimethylphosphane?
[5-(3,4-dichloro-7-fluoro-2-methylquinolin-6-yl)-2-pyridinyl]-dimethylphosphane has a molecular weight of 367.19 g/mol, XLogP of 5.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-dichloro-7-fluoro-2-methylquinolin-6-yl)-2-pyridinyl]-dimethylphosphane is sourced from PubChem (CID 170446520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).