N-(2-chlorophenyl)sulfanyl-3-fluoro-5-(2-fluoroquinazolin-6-yl)-6-methoxypyridin-2-amine

C20H13ClF2N4OS — CID 142590386

IUPACN-(2-chlorophenyl)sulfanyl-3-fluoro-5-(2-fluoroquinazolin-6-yl)-6-methoxypyridin-2-amine
SMILESCOc1nc(NSc2ccccc2Cl)c(F)cc1-c1ccc2nc(F)ncc2c1
InChIInChI=1S/C20H13ClF2N4OS/c1-28-19-13(11-6-7-16-12(8-11)10-24-20(23)25-16)9-15(22)18(26-19)27-29-17-5-3-2-4-14(17)21/h2-10H,1H3,(H,26,27)
InChIKeyLKKPXIJCNFUKDO-UHFFFAOYSA-N
MW430.87 g/mol
LogP5.75
Rot. Bonds5

About N-(2-chlorophenyl)sulfanyl-3-fluoro-5-(2-fluoroquinazolin-6-yl)-6-methoxypyridin-2-amine

N-(2-chlorophenyl)sulfanyl-3-fluoro-5-(2-fluoroquinazolin-6-yl)-6-methoxypyridin-2-amine (PubChem CID 142590386) has the molecular formula C20H13ClF2N4OS and a molecular weight of 430.87 g/mol. Its IUPAC name is N-(2-chlorophenyl)sulfanyl-3-fluoro-5-(2-fluoroquinazolin-6-yl)-6-methoxypyridin-2-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)sulfanyl-3-fluoro-5-(2-fluoroquinazolin-6-yl)-6-methoxypyridin-2-amine
PubChem CID142590386
Molecular FormulaC20H13ClF2N4OS
Molecular Weight430.87 g/mol
Exact Mass430.05
IUPAC NameN-(2-chlorophenyl)sulfanyl-3-fluoro-5-(2-fluoroquinazolin-6-yl)-6-methoxypyridin-2-amine
SMILESCOc1nc(NSc2ccccc2Cl)c(F)cc1-c1ccc2nc(F)ncc2c1
InChIInChI=1S/C20H13ClF2N4OS/c1-28-19-13(11-6-7-16-12(8-11)10-24-20(23)25-16)9-15(22)18(26-19)27-29-17-5-3-2-4-14(17)21/h2-10H,1H3,(H,26,27)
InChIKeyLKKPXIJCNFUKDO-UHFFFAOYSA-N
XLogP5.75
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.87
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[6-[(2-chlorophenyl)sulfanylamino]-5-fluoro-2-methoxy-3-pyridinyl]-N-cyclohexyl-8-ethylquinazolin-2-amine;N-methylmethanamine
CID 142590509
N-(2-chlorophenyl)sulfanyl-4-(8-ethyl-2-fluoroquinazolin-6-yl)-2-fluoro-5-methoxyaniline
CID 142488942
2-chloro-N-[5-(2-chloro-8-fluoroquinazolin-6-yl)-3-fluoro-6-methoxy-2-pyridinyl]benzenesulfonamide
CID 138706969
N-(2-chlorophenyl)sulfanyl-5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methylpyridin-2-amine
CID 142590390
2-chloro-N-[5-(8-ethyl-2,7-difluoroquinazolin-6-yl)-3-fluoro-6-methoxy-2-pyridinyl]benzenesulfinamide
CID 142590491
6-[3-[(2,5-dichlorophenyl)sulfanylamino]-2-fluorophenyl]quinazolin-2-amine
CID 156832923
4-N-[6-[4-[(2-chlorophenyl)sulfanylamino]-3-fluorophenyl]quinazolin-2-yl]bicyclo[2.2.2]octane-1,4-diamine
CID 142488921
6-[6-[(2-chlorophenyl)sulfanylamino]-2-methoxy-3-pyridinyl]-N-cyclohexyl-7-methylquinazolin-2-amine
CID 142488891
N-[(1Z,3E)-4-[6-[(2-chlorophenyl)sulfanylamino]-5-fluoro-2-methoxy-3-pyridinyl]-2-(methyliminomethyl)buta-1,3-dienyl]-N'-cyclohexylmethanimidamide
CID 170329706
6-[6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-2-fluoroquinazoline
CID 167677065
3-(3-fluoro-2-pyridinyl)-2-methoxyquinoline
CID 155909889
6-[6-[(2-chlorophenyl)sulfanylamino]-2-methoxy-3-pyridinyl]-N-cyclohexyl-7-ethylquinazolin-2-amine
CID 142488978

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)sulfanyl-3-fluoro-5-(2-fluoroquinazolin-6-yl)-6-methoxypyridin-2-amine?
The IUPAC name of N-(2-chlorophenyl)sulfanyl-3-fluoro-5-(2-fluoroquinazolin-6-yl)-6-methoxypyridin-2-amine (CID 142590386) is N-(2-chlorophenyl)sulfanyl-3-fluoro-5-(2-fluoroquinazolin-6-yl)-6-methoxypyridin-2-amine.
What is the SMILES notation for N-(2-chlorophenyl)sulfanyl-3-fluoro-5-(2-fluoroquinazolin-6-yl)-6-methoxypyridin-2-amine?
The canonical SMILES for N-(2-chlorophenyl)sulfanyl-3-fluoro-5-(2-fluoroquinazolin-6-yl)-6-methoxypyridin-2-amine is COc1nc(NSc2ccccc2Cl)c(F)cc1-c1ccc2nc(F)ncc2c1.
What is the InChIKey of N-(2-chlorophenyl)sulfanyl-3-fluoro-5-(2-fluoroquinazolin-6-yl)-6-methoxypyridin-2-amine?
The InChIKey is LKKPXIJCNFUKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF2N4OS/c1-28-19-13(11-6-7-16-12(8-11)10-24-20(23)25-16)9-15(22)18(26-19)27-29-17-5-3-2-4-14(17)21/h2-10H,1H3,(H,26,27).
What are the key properties of N-(2-chlorophenyl)sulfanyl-3-fluoro-5-(2-fluoroquinazolin-6-yl)-6-methoxypyridin-2-amine?
N-(2-chlorophenyl)sulfanyl-3-fluoro-5-(2-fluoroquinazolin-6-yl)-6-methoxypyridin-2-amine has a molecular weight of 430.87 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)sulfanyl-3-fluoro-5-(2-fluoroquinazolin-6-yl)-6-methoxypyridin-2-amine is sourced from PubChem (CID 142590386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).