2-[6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]sulfanyl-1,3-thiazole

C18H20N4O2S2 — CID 57413470

IUPAC2-[6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]sulfanyl-1,3-thiazole
SMILESCOc1cc2c(Sc3nccs3)ncnc2cc1OCCN1CCCC1
InChIInChI=1S/C18H20N4O2S2/c1-23-15-10-13-14(11-16(15)24-8-7-22-5-2-3-6-22)20-12-21-17(13)26-18-19-4-9-25-18/h4,9-12H,2-3,5-8H2,1H3
InChIKeyXMZQEVXFTMIAOR-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.72
Rot. Bonds7

About 2-[6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]sulfanyl-1,3-thiazole

2-[6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]sulfanyl-1,3-thiazole (PubChem CID 57413470) has the molecular formula C18H20N4O2S2 and a molecular weight of 388.52 g/mol. Its IUPAC name is 2-[6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]sulfanyl-1,3-thiazole.

Molecular Properties

Compound Name2-[6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]sulfanyl-1,3-thiazole
PubChem CID57413470
Molecular FormulaC18H20N4O2S2
Molecular Weight388.52 g/mol
Exact Mass388.10
IUPAC Name2-[6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]sulfanyl-1,3-thiazole
SMILESCOc1cc2c(Sc3nccs3)ncnc2cc1OCCN1CCCC1
InChIInChI=1S/C18H20N4O2S2/c1-23-15-10-13-14(11-16(15)24-8-7-22-5-2-3-6-22)20-12-21-17(13)26-18-19-4-9-25-18/h4,9-12H,2-3,5-8H2,1H3
InChIKeyXMZQEVXFTMIAOR-UHFFFAOYSA-N
XLogP3.72
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine
CID 22649262
4-chloro-7-(3-pyrrolidin-1-ylpropoxy)-6-(trideuteriomethoxy)quinazoline
CID 87631738
1-(2,6-dimethylphenyl)-3-[6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]thiourea
CID 22243890
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[3-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]sulfanylphenyl]urea
CID 58267964
7-methoxy-4-(1H-pyrazol-4-yloxy)-6-(3-pyrrolidin-1-ylpropoxy)quinazoline
CID 154458074
2-(6,7-dimethoxyquinazolin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole
CID 71461003
4-(2,3-dihydroindol-1-yloxy)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline
CID 91423965
9-methoxy-3-phenyl-8-(2-pyrrolidin-1-ylethoxy)-[1,2,4]triazolo[4,3-c]quinazoline
CID 142687218
4-chloro-7-[2-[4-(1-fluoroethyl)piperazin-1-yl]ethoxy]-6-methoxyquinazoline
CID 91578085
N-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-2-methylbenzenesulfonamide
CID 10276098
4-[(6-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline
CID 22030798
2-imidazol-1-yl-9-methoxy-8-(2-pyrrolidin-1-ylethoxy)benzo[c][2,7]naphthyridine
CID 91196780

Frequently Asked Questions

What is the IUPAC name of 2-[6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]sulfanyl-1,3-thiazole?
The IUPAC name of 2-[6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]sulfanyl-1,3-thiazole (CID 57413470) is 2-[6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]sulfanyl-1,3-thiazole.
What is the SMILES notation for 2-[6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]sulfanyl-1,3-thiazole?
The canonical SMILES for 2-[6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]sulfanyl-1,3-thiazole is COc1cc2c(Sc3nccs3)ncnc2cc1OCCN1CCCC1.
What is the InChIKey of 2-[6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]sulfanyl-1,3-thiazole?
The InChIKey is XMZQEVXFTMIAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S2/c1-23-15-10-13-14(11-16(15)24-8-7-22-5-2-3-6-22)20-12-21-17(13)26-18-19-4-9-25-18/h4,9-12H,2-3,5-8H2,1H3.
What are the key properties of 2-[6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]sulfanyl-1,3-thiazole?
2-[6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]sulfanyl-1,3-thiazole has a molecular weight of 388.52 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]sulfanyl-1,3-thiazole is sourced from PubChem (CID 57413470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).