6-[6-[(2-chlorophenyl)sulfanylamino]-2-methoxy-3-pyridinyl]-N-cyclohexyl-7-ethylquinazolin-2-amine

C28H30ClN5OS — CID 142488978

IUPAC6-[6-[(2-chlorophenyl)sulfanylamino]-2-methoxy-3-pyridinyl]-N-cyclohexyl-7-ethylquinazolin-2-amine
SMILESCCc1cc2nc(NC3CCCCC3)ncc2cc1-c1ccc(NSc2ccccc2Cl)nc1OC
InChIInChI=1S/C28H30ClN5OS/c1-3-18-16-24-19(17-30-28(32-24)31-20-9-5-4-6-10-20)15-22(18)21-13-14-26(33-27(21)35-2)34-36-25-12-8-7-11-23(25)29/h7-8,11-17,20H,3-6,9-10H2,1-2H3,(H,33,34)(H,30,31,32)
InChIKeyLKPIQQJYEXHXLG-UHFFFAOYSA-N
MW520.10 g/mol
LogP7.78
Rot. Bonds8

About 6-[6-[(2-chlorophenyl)sulfanylamino]-2-methoxy-3-pyridinyl]-N-cyclohexyl-7-ethylquinazolin-2-amine

6-[6-[(2-chlorophenyl)sulfanylamino]-2-methoxy-3-pyridinyl]-N-cyclohexyl-7-ethylquinazolin-2-amine (PubChem CID 142488978) has the molecular formula C28H30ClN5OS and a molecular weight of 520.10 g/mol. Its IUPAC name is 6-[6-[(2-chlorophenyl)sulfanylamino]-2-methoxy-3-pyridinyl]-N-cyclohexyl-7-ethylquinazolin-2-amine.

Molecular Properties

Compound Name6-[6-[(2-chlorophenyl)sulfanylamino]-2-methoxy-3-pyridinyl]-N-cyclohexyl-7-ethylquinazolin-2-amine
PubChem CID142488978
Molecular FormulaC28H30ClN5OS
Molecular Weight520.10 g/mol
Exact Mass519.19
IUPAC Name6-[6-[(2-chlorophenyl)sulfanylamino]-2-methoxy-3-pyridinyl]-N-cyclohexyl-7-ethylquinazolin-2-amine
SMILESCCc1cc2nc(NC3CCCCC3)ncc2cc1-c1ccc(NSc2ccccc2Cl)nc1OC
InChIInChI=1S/C28H30ClN5OS/c1-3-18-16-24-19(17-30-28(32-24)31-20-9-5-4-6-10-20)15-22(18)21-13-14-26(33-27(21)35-2)34-36-25-12-8-7-11-23(25)29/h7-8,11-17,20H,3-6,9-10H2,1-2H3,(H,33,34)(H,30,31,32)
InChIKeyLKPIQQJYEXHXLG-UHFFFAOYSA-N
XLogP7.78
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.10
LogP ≤ 57.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-[6-[(2-chlorophenyl)sulfanylamino]-2-methoxy-3-pyridinyl]-N-cyclohexyl-7-ethylquinazolin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

6-[6-[(2-chlorophenyl)sulfanylamino]-2-methoxy-3-pyridinyl]-N-cyclohexyl-7-methylquinazolin-2-amine
CID 142488891
6-[6-[(2-chlorophenyl)sulfanylamino]-5-fluoro-2-methoxy-3-pyridinyl]-N-cyclohexyl-8-ethylquinazolin-2-amine;N-methylmethanamine
CID 142590509
6-[6-[(2-chlorophenyl)sulfanylamino]-5-methoxypyridazin-3-yl]-N-cyclohexyl-8-ethylquinazolin-2-amine
CID 142488883
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-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfanylamino]-2,6-difluorophenyl]-N-cyclohexylquinazolin-2-amine
CID 169156170
6-[3-[(2-chlorophenyl)sulfanylamino]-1-methylpyrazol-5-yl]-N-cyclohexyl-8-propan-2-ylquinazolin-2-amine;methanamine
CID 142590405
N-[5-[2-(cyclohexylamino)-8-ethylquinazolin-6-yl]-6-methyl-2-pyridinyl]benzenesulfonamide
CID 166740466
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
N-cycloheptyl-6-methylquinazolin-2-amine
CID 176973176
N-cyclohexyl-6-methylquinazolin-2-amine
CID 156833151

Frequently Asked Questions

What is the IUPAC name of 6-[6-[(2-chlorophenyl)sulfanylamino]-2-methoxy-3-pyridinyl]-N-cyclohexyl-7-ethylquinazolin-2-amine?
The IUPAC name of 6-[6-[(2-chlorophenyl)sulfanylamino]-2-methoxy-3-pyridinyl]-N-cyclohexyl-7-ethylquinazolin-2-amine (CID 142488978) is 6-[6-[(2-chlorophenyl)sulfanylamino]-2-methoxy-3-pyridinyl]-N-cyclohexyl-7-ethylquinazolin-2-amine.
What is the SMILES notation for 6-[6-[(2-chlorophenyl)sulfanylamino]-2-methoxy-3-pyridinyl]-N-cyclohexyl-7-ethylquinazolin-2-amine?
The canonical SMILES for 6-[6-[(2-chlorophenyl)sulfanylamino]-2-methoxy-3-pyridinyl]-N-cyclohexyl-7-ethylquinazolin-2-amine is CCc1cc2nc(NC3CCCCC3)ncc2cc1-c1ccc(NSc2ccccc2Cl)nc1OC.
What is the InChIKey of 6-[6-[(2-chlorophenyl)sulfanylamino]-2-methoxy-3-pyridinyl]-N-cyclohexyl-7-ethylquinazolin-2-amine?
The InChIKey is LKPIQQJYEXHXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClN5OS/c1-3-18-16-24-19(17-30-28(32-24)31-20-9-5-4-6-10-20)15-22(18)21-13-14-26(33-27(21)35-2)34-36-25-12-8-7-11-23(25)29/h7-8,11-17,20H,3-6,9-10H2,1-2H3,(H,33,34)(H,30,31,32).
What are the key properties of 6-[6-[(2-chlorophenyl)sulfanylamino]-2-methoxy-3-pyridinyl]-N-cyclohexyl-7-ethylquinazolin-2-amine?
6-[6-[(2-chlorophenyl)sulfanylamino]-2-methoxy-3-pyridinyl]-N-cyclohexyl-7-ethylquinazolin-2-amine has a molecular weight of 520.10 g/mol, XLogP of 7.78, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[(2-chlorophenyl)sulfanylamino]-2-methoxy-3-pyridinyl]-N-cyclohexyl-7-ethylquinazolin-2-amine is sourced from PubChem (CID 142488978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).