N-(2-chlorophenyl)sulfanyl-4-(8-ethyl-2-fluoroquinazolin-6-yl)-2-fluoro-5-methoxyaniline

C23H18ClF2N3OS — CID 142488942

IUPACN-(2-chlorophenyl)sulfanyl-4-(8-ethyl-2-fluoroquinazolin-6-yl)-2-fluoro-5-methoxyaniline
SMILESCCc1cc(-c2cc(F)c(NSc3ccccc3Cl)cc2OC)cc2cnc(F)nc12
InChIInChI=1S/C23H18ClF2N3OS/c1-3-13-8-14(9-15-12-27-23(26)28-22(13)15)16-10-18(25)19(11-20(16)30-2)29-31-21-7-5-4-6-17(21)24/h4-12,29H,3H2,1-2H3
InChIKeyRMYIUPLQGNMTPE-UHFFFAOYSA-N
MW457.93 g/mol
LogP6.92
Rot. Bonds6

About N-(2-chlorophenyl)sulfanyl-4-(8-ethyl-2-fluoroquinazolin-6-yl)-2-fluoro-5-methoxyaniline

N-(2-chlorophenyl)sulfanyl-4-(8-ethyl-2-fluoroquinazolin-6-yl)-2-fluoro-5-methoxyaniline (PubChem CID 142488942) has the molecular formula C23H18ClF2N3OS and a molecular weight of 457.93 g/mol. Its IUPAC name is N-(2-chlorophenyl)sulfanyl-4-(8-ethyl-2-fluoroquinazolin-6-yl)-2-fluoro-5-methoxyaniline.

Molecular Properties

Compound NameN-(2-chlorophenyl)sulfanyl-4-(8-ethyl-2-fluoroquinazolin-6-yl)-2-fluoro-5-methoxyaniline
PubChem CID142488942
Molecular FormulaC23H18ClF2N3OS
Molecular Weight457.93 g/mol
Exact Mass457.08
IUPAC NameN-(2-chlorophenyl)sulfanyl-4-(8-ethyl-2-fluoroquinazolin-6-yl)-2-fluoro-5-methoxyaniline
SMILESCCc1cc(-c2cc(F)c(NSc3ccccc3Cl)cc2OC)cc2cnc(F)nc12
InChIInChI=1S/C23H18ClF2N3OS/c1-3-13-8-14(9-15-12-27-23(26)28-22(13)15)16-10-18(25)19(11-20(16)30-2)29-31-21-7-5-4-6-17(21)24/h4-12,29H,3H2,1-2H3
InChIKeyRMYIUPLQGNMTPE-UHFFFAOYSA-N
XLogP6.92
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.93
LogP ≤ 56.92
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-4-(8-ethyl-2-fluoroquinazolin-6-yl)-2-fluoro-5-methoxyaniline 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-5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methylpyridin-2-amine
CID 142590390
N-(2-chlorophenyl)sulfanyl-3-fluoro-5-(2-fluoroquinazolin-6-yl)-6-methoxypyridin-2-amine
CID 142590386
6-[4-[(2-chlorophenyl)sulfanylamino]-3-fluorophenyl]-N-cyclohexyl-8-ethylquinazolin-2-amine;N-methylmethanamine
CID 142488948
N-[4-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-2-fluoro-5-methoxyphenyl]-2-chlorobenzenesulfonamide
CID 137352592
6-[4-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxyphenyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine
CID 148674155
tert-butyl N-[4-[[6-[4-[(2-chlorophenyl)sulfonylamino]-5-fluoro-2-methoxyphenyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate
CID 142488930
5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methylpyridin-2-amine
CID 138707045
2-chloro-N-[5-(8-ethyl-2,7-difluoroquinazolin-6-yl)-3-fluoro-6-methoxy-2-pyridinyl]benzenesulfinamide
CID 142590491
6-[6-[(2-chlorophenyl)sulfanylamino]-2-methoxy-3-pyridinyl]-N-cyclohexyl-7-ethylquinazolin-2-amine
CID 142488978
2-chloro-N-[5-(2-chloro-8-fluoroquinazolin-6-yl)-3-fluoro-6-methoxy-2-pyridinyl]benzenesulfonamide
CID 138706969
6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine
CID 167623361
4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]cyclohexane-1,4-diamine
CID 147554341

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)sulfanyl-4-(8-ethyl-2-fluoroquinazolin-6-yl)-2-fluoro-5-methoxyaniline?
The IUPAC name of N-(2-chlorophenyl)sulfanyl-4-(8-ethyl-2-fluoroquinazolin-6-yl)-2-fluoro-5-methoxyaniline (CID 142488942) is N-(2-chlorophenyl)sulfanyl-4-(8-ethyl-2-fluoroquinazolin-6-yl)-2-fluoro-5-methoxyaniline.
What is the SMILES notation for N-(2-chlorophenyl)sulfanyl-4-(8-ethyl-2-fluoroquinazolin-6-yl)-2-fluoro-5-methoxyaniline?
The canonical SMILES for N-(2-chlorophenyl)sulfanyl-4-(8-ethyl-2-fluoroquinazolin-6-yl)-2-fluoro-5-methoxyaniline is CCc1cc(-c2cc(F)c(NSc3ccccc3Cl)cc2OC)cc2cnc(F)nc12.
What is the InChIKey of N-(2-chlorophenyl)sulfanyl-4-(8-ethyl-2-fluoroquinazolin-6-yl)-2-fluoro-5-methoxyaniline?
The InChIKey is RMYIUPLQGNMTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF2N3OS/c1-3-13-8-14(9-15-12-27-23(26)28-22(13)15)16-10-18(25)19(11-20(16)30-2)29-31-21-7-5-4-6-17(21)24/h4-12,29H,3H2,1-2H3.
What are the key properties of N-(2-chlorophenyl)sulfanyl-4-(8-ethyl-2-fluoroquinazolin-6-yl)-2-fluoro-5-methoxyaniline?
N-(2-chlorophenyl)sulfanyl-4-(8-ethyl-2-fluoroquinazolin-6-yl)-2-fluoro-5-methoxyaniline has a molecular weight of 457.93 g/mol, XLogP of 6.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)sulfanyl-4-(8-ethyl-2-fluoroquinazolin-6-yl)-2-fluoro-5-methoxyaniline is sourced from PubChem (CID 142488942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).