6-[6-[(2-chlorophenyl)sulfanylamino]-5-methoxypyridazin-3-yl]-N-cyclohexyl-8-ethylquinazolin-2-amine

C27H29ClN6OS — CID 142488883

IUPAC6-[6-[(2-chlorophenyl)sulfanylamino]-5-methoxypyridazin-3-yl]-N-cyclohexyl-8-ethylquinazolin-2-amine
SMILESCCc1cc(-c2cc(OC)c(NSc3ccccc3Cl)nn2)cc2cnc(NC3CCCCC3)nc12
InChIInChI=1S/C27H29ClN6OS/c1-3-17-13-18(14-19-16-29-27(31-25(17)19)30-20-9-5-4-6-10-20)22-15-23(35-2)26(33-32-22)34-36-24-12-8-7-11-21(24)28/h7-8,11-16,20H,3-6,9-10H2,1-2H3,(H,33,34)(H,29,30,31)
InChIKeyMFEZYCGQHBRYFE-UHFFFAOYSA-N
MW521.09 g/mol
LogP7.18
Rot. Bonds8

About 6-[6-[(2-chlorophenyl)sulfanylamino]-5-methoxypyridazin-3-yl]-N-cyclohexyl-8-ethylquinazolin-2-amine

6-[6-[(2-chlorophenyl)sulfanylamino]-5-methoxypyridazin-3-yl]-N-cyclohexyl-8-ethylquinazolin-2-amine (PubChem CID 142488883) has the molecular formula C27H29ClN6OS and a molecular weight of 521.09 g/mol. Its IUPAC name is 6-[6-[(2-chlorophenyl)sulfanylamino]-5-methoxypyridazin-3-yl]-N-cyclohexyl-8-ethylquinazolin-2-amine.

Molecular Properties

Compound Name6-[6-[(2-chlorophenyl)sulfanylamino]-5-methoxypyridazin-3-yl]-N-cyclohexyl-8-ethylquinazolin-2-amine
PubChem CID142488883
Molecular FormulaC27H29ClN6OS
Molecular Weight521.09 g/mol
Exact Mass520.18
IUPAC Name6-[6-[(2-chlorophenyl)sulfanylamino]-5-methoxypyridazin-3-yl]-N-cyclohexyl-8-ethylquinazolin-2-amine
SMILESCCc1cc(-c2cc(OC)c(NSc3ccccc3Cl)nn2)cc2cnc(NC3CCCCC3)nc12
InChIInChI=1S/C27H29ClN6OS/c1-3-17-13-18(14-19-16-29-27(31-25(17)19)30-20-9-5-4-6-10-20)22-15-23(35-2)26(33-32-22)34-36-24-12-8-7-11-21(24)28/h7-8,11-16,20H,3-6,9-10H2,1-2H3,(H,33,34)(H,29,30,31)
InChIKeyMFEZYCGQHBRYFE-UHFFFAOYSA-N
XLogP7.18
TPSA84.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.09
LogP ≤ 57.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-[6-[(2-chlorophenyl)sulfanylamino]-5-methoxypyridazin-3-yl]-N-cyclohexyl-8-ethylquinazolin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

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
6-[4-[(2-chlorophenyl)sulfanylamino]-3-fluorophenyl]-N-cyclohexyl-8-ethylquinazolin-2-amine;pyrrolidine
CID 142590442
6-[6-[(2-chlorophenyl)sulfanylamino]-2-methoxy-3-pyridinyl]-N-cyclohexyl-7-ethylquinazolin-2-amine
CID 142488978
2-chloro-N-[5-[2-(cyclohexylamino)-8-ethylquinazolin-6-yl]-3-fluoro-2-pyridinyl]benzenesulfonamide
CID 138707719
6-[6-[(2-chlorophenyl)sulfanylamino]-2-methoxy-3-pyridinyl]-N-cyclohexyl-7-methylquinazolin-2-amine
CID 142488891
2-chloro-N-[5-[2-(cyclohexylamino)-8-ethylquinazolin-6-yl]-6-methylpyrazin-2-yl]benzenesulfonamide
CID 138706903
6-[4-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxyphenyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine
CID 148674155
N-[5-[2-(cyclohexylamino)-8-ethylquinazolin-6-yl]-6-methyl-2-pyridinyl]benzenesulfonamide
CID 166740466
N-[4-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-2-fluoro-5-methoxyphenyl]-2-chlorobenzenesulfonamide
CID 137352592
4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]cyclohexane-1,4-diamine
CID 147554341
6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine
CID 167623361

Frequently Asked Questions

What is the IUPAC name of 6-[6-[(2-chlorophenyl)sulfanylamino]-5-methoxypyridazin-3-yl]-N-cyclohexyl-8-ethylquinazolin-2-amine?
The IUPAC name of 6-[6-[(2-chlorophenyl)sulfanylamino]-5-methoxypyridazin-3-yl]-N-cyclohexyl-8-ethylquinazolin-2-amine (CID 142488883) is 6-[6-[(2-chlorophenyl)sulfanylamino]-5-methoxypyridazin-3-yl]-N-cyclohexyl-8-ethylquinazolin-2-amine.
What is the SMILES notation for 6-[6-[(2-chlorophenyl)sulfanylamino]-5-methoxypyridazin-3-yl]-N-cyclohexyl-8-ethylquinazolin-2-amine?
The canonical SMILES for 6-[6-[(2-chlorophenyl)sulfanylamino]-5-methoxypyridazin-3-yl]-N-cyclohexyl-8-ethylquinazolin-2-amine is CCc1cc(-c2cc(OC)c(NSc3ccccc3Cl)nn2)cc2cnc(NC3CCCCC3)nc12.
What is the InChIKey of 6-[6-[(2-chlorophenyl)sulfanylamino]-5-methoxypyridazin-3-yl]-N-cyclohexyl-8-ethylquinazolin-2-amine?
The InChIKey is MFEZYCGQHBRYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN6OS/c1-3-17-13-18(14-19-16-29-27(31-25(17)19)30-20-9-5-4-6-10-20)22-15-23(35-2)26(33-32-22)34-36-24-12-8-7-11-21(24)28/h7-8,11-16,20H,3-6,9-10H2,1-2H3,(H,33,34)(H,29,30,31).
What are the key properties of 6-[6-[(2-chlorophenyl)sulfanylamino]-5-methoxypyridazin-3-yl]-N-cyclohexyl-8-ethylquinazolin-2-amine?
6-[6-[(2-chlorophenyl)sulfanylamino]-5-methoxypyridazin-3-yl]-N-cyclohexyl-8-ethylquinazolin-2-amine has a molecular weight of 521.09 g/mol, XLogP of 7.18, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[(2-chlorophenyl)sulfanylamino]-5-methoxypyridazin-3-yl]-N-cyclohexyl-8-ethylquinazolin-2-amine is sourced from PubChem (CID 142488883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).