ethane;methane;2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-thiazole-4-carboxylic acid

C23H33N5O5S — CID 142104621

IUPACethane;methane;2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-thiazole-4-carboxylic acid
SMILESC.CC.COc1cc2c(Nc3nc(C(=O)O)cs3)ncnc2cc1OCCCN1CCOCC1
InChIInChI=1S/C20H23N5O5S.C2H6.CH4/c1-28-16-9-13-14(10-17(16)30-6-2-3-25-4-7-29-8-5-25)21-12-22-18(13)24-20-23-15(11-31-20)19(26)27;1-2;/h9-12H,2-8H2,1H3,(H,26,27)(H,21,22,23,24);1-2H3;1H4
InChIKeyQYXMIBMOCCSLQU-UHFFFAOYSA-N
MW491.61 g/mol
LogP4.30
Rot. Bonds9

About ethane;methane;2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-thiazole-4-carboxylic acid

ethane;methane;2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-thiazole-4-carboxylic acid (PubChem CID 142104621) has the molecular formula C23H33N5O5S and a molecular weight of 491.61 g/mol. Its IUPAC name is ethane;methane;2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Nameethane;methane;2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-thiazole-4-carboxylic acid
PubChem CID142104621
Molecular FormulaC23H33N5O5S
Molecular Weight491.61 g/mol
Exact Mass491.22
IUPAC Nameethane;methane;2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-thiazole-4-carboxylic acid
SMILESC.CC.COc1cc2c(Nc3nc(C(=O)O)cs3)ncnc2cc1OCCCN1CCOCC1
InChIInChI=1S/C20H23N5O5S.C2H6.CH4/c1-28-16-9-13-14(10-17(16)30-6-2-3-25-4-7-29-8-5-25)21-12-22-18(13)24-20-23-15(11-31-20)19(26)27;1-2;/h9-12H,2-8H2,1H3,(H,26,27)(H,21,22,23,24);1-2H3;1H4
InChIKeyQYXMIBMOCCSLQU-UHFFFAOYSA-N
XLogP4.30
TPSA118.93 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.61
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze ethane;methane;2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-thiazole-4-carboxylic acid with MolForge

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Related Compounds

4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1-methylpyrrole-2-carboxylic acid
CID 58608335
2-[2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide
CID 44591701
6-methoxy-N-(2-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330171
butanoic acid;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 71584867
N-(4-bromo-2,6-difluorophenyl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 21260290
7-methoxy-N-(3-methyl-4-phosphanylphenyl)-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 170088513
6-methoxy-N-(5-methyl-2-pyridinyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 142051918
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine;2-hydroxyacetic acid
CID 175377162
N-(1H-indol-6-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 22030892
7-methoxy-6-(3-morpholin-4-ylpropoxy)-N-pyridin-3-ylquinazolin-4-amine
CID 151014604
N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330191
3-methoxy-N-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]benzamide
CID 66550689

Frequently Asked Questions

What is the IUPAC name of ethane;methane;2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of ethane;methane;2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-thiazole-4-carboxylic acid (CID 142104621) is ethane;methane;2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for ethane;methane;2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for ethane;methane;2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-thiazole-4-carboxylic acid is C.CC.COc1cc2c(Nc3nc(C(=O)O)cs3)ncnc2cc1OCCCN1CCOCC1.
What is the InChIKey of ethane;methane;2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is QYXMIBMOCCSLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O5S.C2H6.CH4/c1-28-16-9-13-14(10-17(16)30-6-2-3-25-4-7-29-8-5-25)21-12-22-18(13)24-20-23-15(11-31-20)19(26)27;1-2;/h9-12H,2-8H2,1H3,(H,26,27)(H,21,22,23,24);1-2H3;1H4.
What are the key properties of ethane;methane;2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-thiazole-4-carboxylic acid?
ethane;methane;2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 491.61 g/mol, XLogP of 4.30, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 142104621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).