6-chloro-7-methoxy-4-(2-methylsulfanyl-2,8-diazaspiro[4.5]decan-8-yl)quinazoline

C18H23ClN4OS — CID 157040832

IUPAC6-chloro-7-methoxy-4-(2-methylsulfanyl-2,8-diazaspiro[4.5]decan-8-yl)quinazoline
SMILESCOc1cc2ncnc(N3CCC4(CCN(SC)C4)CC3)c2cc1Cl
InChIInChI=1S/C18H23ClN4OS/c1-24-16-10-15-13(9-14(16)19)17(21-12-20-15)22-6-3-18(4-7-22)5-8-23(11-18)25-2/h9-10,12H,3-8,11H2,1-2H3
InChIKeyLHAIEMCTHNPIJN-UHFFFAOYSA-N
MW378.93 g/mol
LogP3.86
Rot. Bonds3

About 6-chloro-7-methoxy-4-(2-methylsulfanyl-2,8-diazaspiro[4.5]decan-8-yl)quinazoline

6-chloro-7-methoxy-4-(2-methylsulfanyl-2,8-diazaspiro[4.5]decan-8-yl)quinazoline (PubChem CID 157040832) has the molecular formula C18H23ClN4OS and a molecular weight of 378.93 g/mol. Its IUPAC name is 6-chloro-7-methoxy-4-(2-methylsulfanyl-2,8-diazaspiro[4.5]decan-8-yl)quinazoline.

Molecular Properties

Compound Name6-chloro-7-methoxy-4-(2-methylsulfanyl-2,8-diazaspiro[4.5]decan-8-yl)quinazoline
PubChem CID157040832
Molecular FormulaC18H23ClN4OS
Molecular Weight378.93 g/mol
Exact Mass378.13
IUPAC Name6-chloro-7-methoxy-4-(2-methylsulfanyl-2,8-diazaspiro[4.5]decan-8-yl)quinazoline
SMILESCOc1cc2ncnc(N3CCC4(CCN(SC)C4)CC3)c2cc1Cl
InChIInChI=1S/C18H23ClN4OS/c1-24-16-10-15-13(9-14(16)19)17(21-12-20-15)22-6-3-18(4-7-22)5-8-23(11-18)25-2/h9-10,12H,3-8,11H2,1-2H3
InChIKeyLHAIEMCTHNPIJN-UHFFFAOYSA-N
XLogP3.86
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.93
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-chloro-7-methoxy-4-(2-methylsulfanyl-2,8-diazaspiro[4.5]decan-8-yl)quinazoline with MolForge

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Related Compounds

[8-(6-chloro-7-methoxyquinazolin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]-imino-methyl-oxo-λ6-sulfane
CID 157041131
2-[1-(6-chloro-7-methoxyquinazolin-4-yl)piperidin-4-yl]ethanethiol
CID 157040643
6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline
CID 2808928
6,7-dimethoxy-4-(2-methylsulfinyl-7-azaspiro[3.5]nonan-7-yl)quinazoline
CID 157040957
[8-[6-(fluoromethoxy)-7-methoxyquinazolin-4-yl]-2,8-diazaspiro[4.5]decan-2-yl]-imino-methyl-oxo-λ6-sulfane
CID 166561976
1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one
CID 14738823
tert-butyl 8-(6-acetyloxy-7-methoxyquinazolin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 157041014
7-(7-fluoro-6-methoxyquinazolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane
CID 133493393
[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methylidenevanadium
CID 22954242
4-(azetidin-1-yl)-6-ethyl-7-methoxyquinazoline
CID 176978917
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6,7-dimethoxyquinazoline
CID 177373905
7-fluoro-6-methoxy-4-pyrrolidin-1-ylquinazoline
CID 133475447

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-methoxy-4-(2-methylsulfanyl-2,8-diazaspiro[4.5]decan-8-yl)quinazoline?
The IUPAC name of 6-chloro-7-methoxy-4-(2-methylsulfanyl-2,8-diazaspiro[4.5]decan-8-yl)quinazoline (CID 157040832) is 6-chloro-7-methoxy-4-(2-methylsulfanyl-2,8-diazaspiro[4.5]decan-8-yl)quinazoline.
What is the SMILES notation for 6-chloro-7-methoxy-4-(2-methylsulfanyl-2,8-diazaspiro[4.5]decan-8-yl)quinazoline?
The canonical SMILES for 6-chloro-7-methoxy-4-(2-methylsulfanyl-2,8-diazaspiro[4.5]decan-8-yl)quinazoline is COc1cc2ncnc(N3CCC4(CCN(SC)C4)CC3)c2cc1Cl.
What is the InChIKey of 6-chloro-7-methoxy-4-(2-methylsulfanyl-2,8-diazaspiro[4.5]decan-8-yl)quinazoline?
The InChIKey is LHAIEMCTHNPIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4OS/c1-24-16-10-15-13(9-14(16)19)17(21-12-20-15)22-6-3-18(4-7-22)5-8-23(11-18)25-2/h9-10,12H,3-8,11H2,1-2H3.
What are the key properties of 6-chloro-7-methoxy-4-(2-methylsulfanyl-2,8-diazaspiro[4.5]decan-8-yl)quinazoline?
6-chloro-7-methoxy-4-(2-methylsulfanyl-2,8-diazaspiro[4.5]decan-8-yl)quinazoline has a molecular weight of 378.93 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-methoxy-4-(2-methylsulfanyl-2,8-diazaspiro[4.5]decan-8-yl)quinazoline is sourced from PubChem (CID 157040832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).