6,7-dimethoxy-4-(2-methylsulfinyl-7-azaspiro[3.5]nonan-7-yl)quinazoline

C19H25N3O3S — CID 157040957

IUPAC6,7-dimethoxy-4-(2-methylsulfinyl-7-azaspiro[3.5]nonan-7-yl)quinazoline
SMILESCOc1cc2ncnc(N3CCC4(CC3)CC(S(C)=O)C4)c2cc1OC
InChIInChI=1S/C19H25N3O3S/c1-24-16-8-14-15(9-17(16)25-2)20-12-21-18(14)22-6-4-19(5-7-22)10-13(11-19)26(3)23/h8-9,12-13H,4-7,10-11H2,1-3H3
InChIKeyKHNNLXWGUHJHRI-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.77
Rot. Bonds4

About 6,7-dimethoxy-4-(2-methylsulfinyl-7-azaspiro[3.5]nonan-7-yl)quinazoline

6,7-dimethoxy-4-(2-methylsulfinyl-7-azaspiro[3.5]nonan-7-yl)quinazoline (PubChem CID 157040957) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 6,7-dimethoxy-4-(2-methylsulfinyl-7-azaspiro[3.5]nonan-7-yl)quinazoline.

Molecular Properties

Compound Name6,7-dimethoxy-4-(2-methylsulfinyl-7-azaspiro[3.5]nonan-7-yl)quinazoline
PubChem CID157040957
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name6,7-dimethoxy-4-(2-methylsulfinyl-7-azaspiro[3.5]nonan-7-yl)quinazoline
SMILESCOc1cc2ncnc(N3CCC4(CC3)CC(S(C)=O)C4)c2cc1OC
InChIInChI=1S/C19H25N3O3S/c1-24-16-8-14-15(9-17(16)25-2)20-12-21-18(14)22-6-4-19(5-7-22)10-13(11-19)26(3)23/h8-9,12-13H,4-7,10-11H2,1-3H3
InChIKeyKHNNLXWGUHJHRI-UHFFFAOYSA-N
XLogP2.77
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one
CID 14738823
6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline
CID 2808928
6,7-dimethoxy-4-[4-[methyl(sulfamoyl)amino]piperidin-1-yl]quinazoline
CID 167049154
1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-ol
CID 21487876
[8-[6-(fluoromethoxy)-7-methoxyquinazolin-4-yl]-2,8-diazaspiro[4.5]decan-2-yl]-imino-methyl-oxo-λ6-sulfane
CID 166561976
4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 86756553
cyclopropyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone
CID 171691630
[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methylidenevanadium
CID 22954242
tert-butyl 8-(6-acetyloxy-7-methoxyquinazolin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 157041014
(2S)-2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]butan-1-amine
CID 155128602
1-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-3-methylurea
CID 138468814
[cyclopropyl-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]sulfamoyl] carbamate
CID 155125456

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-(2-methylsulfinyl-7-azaspiro[3.5]nonan-7-yl)quinazoline?
The IUPAC name of 6,7-dimethoxy-4-(2-methylsulfinyl-7-azaspiro[3.5]nonan-7-yl)quinazoline (CID 157040957) is 6,7-dimethoxy-4-(2-methylsulfinyl-7-azaspiro[3.5]nonan-7-yl)quinazoline.
What is the SMILES notation for 6,7-dimethoxy-4-(2-methylsulfinyl-7-azaspiro[3.5]nonan-7-yl)quinazoline?
The canonical SMILES for 6,7-dimethoxy-4-(2-methylsulfinyl-7-azaspiro[3.5]nonan-7-yl)quinazoline is COc1cc2ncnc(N3CCC4(CC3)CC(S(C)=O)C4)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-4-(2-methylsulfinyl-7-azaspiro[3.5]nonan-7-yl)quinazoline?
The InChIKey is KHNNLXWGUHJHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-24-16-8-14-15(9-17(16)25-2)20-12-21-18(14)22-6-4-19(5-7-22)10-13(11-19)26(3)23/h8-9,12-13H,4-7,10-11H2,1-3H3.
What are the key properties of 6,7-dimethoxy-4-(2-methylsulfinyl-7-azaspiro[3.5]nonan-7-yl)quinazoline?
6,7-dimethoxy-4-(2-methylsulfinyl-7-azaspiro[3.5]nonan-7-yl)quinazoline has a molecular weight of 375.49 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-(2-methylsulfinyl-7-azaspiro[3.5]nonan-7-yl)quinazoline is sourced from PubChem (CID 157040957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).