N-(2-chlorophenyl)sulfanyl-5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methylpyridin-2-amine

C22H18ClFN4S — CID 142590390

IUPACN-(2-chlorophenyl)sulfanyl-5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methylpyridin-2-amine
SMILESCCc1cc(-c2ccc(NSc3ccccc3Cl)nc2C)cc2cnc(F)nc12
InChIInChI=1S/C22H18ClFN4S/c1-3-14-10-15(11-16-12-25-22(24)27-21(14)16)17-8-9-20(26-13(17)2)28-29-19-7-5-4-6-18(19)23/h4-12H,3H2,1-2H3,(H,26,28)
InChIKeyROLOQPHHIQQSJX-UHFFFAOYSA-N
MW424.93 g/mol
LogP6.47
Rot. Bonds5

About N-(2-chlorophenyl)sulfanyl-5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methylpyridin-2-amine

N-(2-chlorophenyl)sulfanyl-5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methylpyridin-2-amine (PubChem CID 142590390) has the molecular formula C22H18ClFN4S and a molecular weight of 424.93 g/mol. Its IUPAC name is N-(2-chlorophenyl)sulfanyl-5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methylpyridin-2-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)sulfanyl-5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methylpyridin-2-amine
PubChem CID142590390
Molecular FormulaC22H18ClFN4S
Molecular Weight424.93 g/mol
Exact Mass424.09
IUPAC NameN-(2-chlorophenyl)sulfanyl-5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methylpyridin-2-amine
SMILESCCc1cc(-c2ccc(NSc3ccccc3Cl)nc2C)cc2cnc(F)nc12
InChIInChI=1S/C22H18ClFN4S/c1-3-14-10-15(11-16-12-25-22(24)27-21(14)16)17-8-9-20(26-13(17)2)28-29-19-7-5-4-6-18(19)23/h4-12H,3H2,1-2H3,(H,26,28)
InChIKeyROLOQPHHIQQSJX-UHFFFAOYSA-N
XLogP6.47
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.93
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-chlorophenyl)sulfanyl-5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chlorophenyl)sulfanyl-4-(8-ethyl-2-fluoroquinazolin-6-yl)-2-fluoro-5-methoxyaniline
CID 142488942
5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methylpyridin-2-amine
CID 138707045
6-[6-[(2-chlorophenyl)sulfanylamino]-5-fluoro-2-methoxy-3-pyridinyl]-N-cyclohexyl-8-ethylquinazolin-2-amine;N-methylmethanamine
CID 142590509
6-[4-[(2-chlorophenyl)sulfanylamino]-3-fluorophenyl]-N-cyclohexyl-8-ethylquinazolin-2-amine;N-methylmethanamine
CID 142488948
N-[5-[2-(cyclohexylamino)-8-ethylquinazolin-6-yl]-6-methyl-2-pyridinyl]benzenesulfonamide
CID 166740466
6-[4-[(2-chlorophenyl)sulfanylamino]-3-fluorophenyl]-N-cyclohexyl-8-ethylquinazolin-2-amine;pyrrolidine
CID 142590442
N-(2-chlorophenyl)sulfanyl-3-fluoro-5-(2-fluoroquinazolin-6-yl)-6-methoxypyridin-2-amine
CID 142590386
6-[6-[(2-chlorophenyl)sulfanylamino]-5-methoxypyridazin-3-yl]-N-cyclohexyl-8-ethylquinazolin-2-amine
CID 142488883
2-chloro-N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-6-methyl-2-pyridinyl]-3-fluorobenzenesulfonamide
CID 138676653
(4R)-1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-2-fluoro-4-N,4-N-dimethylcyclohexane-1,4-diamine
CID 159121063
6-[6-[(2-chlorophenyl)sulfanylamino]-2-methoxy-3-pyridinyl]-N-cyclohexyl-7-ethylquinazolin-2-amine
CID 142488978
6-[6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-2-fluoroquinazoline
CID 167677065

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)sulfanyl-5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methylpyridin-2-amine?
The IUPAC name of N-(2-chlorophenyl)sulfanyl-5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methylpyridin-2-amine (CID 142590390) is N-(2-chlorophenyl)sulfanyl-5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methylpyridin-2-amine.
What is the SMILES notation for N-(2-chlorophenyl)sulfanyl-5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methylpyridin-2-amine?
The canonical SMILES for N-(2-chlorophenyl)sulfanyl-5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methylpyridin-2-amine is CCc1cc(-c2ccc(NSc3ccccc3Cl)nc2C)cc2cnc(F)nc12.
What is the InChIKey of N-(2-chlorophenyl)sulfanyl-5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methylpyridin-2-amine?
The InChIKey is ROLOQPHHIQQSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN4S/c1-3-14-10-15(11-16-12-25-22(24)27-21(14)16)17-8-9-20(26-13(17)2)28-29-19-7-5-4-6-18(19)23/h4-12H,3H2,1-2H3,(H,26,28).
What are the key properties of N-(2-chlorophenyl)sulfanyl-5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methylpyridin-2-amine?
N-(2-chlorophenyl)sulfanyl-5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methylpyridin-2-amine has a molecular weight of 424.93 g/mol, XLogP of 6.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)sulfanyl-5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methylpyridin-2-amine is sourced from PubChem (CID 142590390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).