5-butyl-N-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine

C23H31N5O3S — CID 11633940

IUPAC5-butyl-N-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine
SMILESCCCCc1cnc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)s1
InChIInChI=1S/C23H31N5O3S/c1-3-4-6-17-15-24-23(32-17)27-22-18-13-20(29-2)21(14-19(18)25-16-26-22)31-10-5-7-28-8-11-30-12-9-28/h13-16H,3-12H2,1-2H3,(H,24,25,26,27)
InChIKeyJNRTVZLIHFRYQO-UHFFFAOYSA-N
MW457.60 g/mol
LogP4.28
Rot. Bonds11

About 5-butyl-N-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine

5-butyl-N-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine (PubChem CID 11633940) has the molecular formula C23H31N5O3S and a molecular weight of 457.60 g/mol. Its IUPAC name is 5-butyl-N-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-butyl-N-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine
PubChem CID11633940
Molecular FormulaC23H31N5O3S
Molecular Weight457.60 g/mol
Exact Mass457.21
IUPAC Name5-butyl-N-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine
SMILESCCCCc1cnc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)s1
InChIInChI=1S/C23H31N5O3S/c1-3-4-6-17-15-24-23(32-17)27-22-18-13-20(29-2)21(14-19(18)25-16-26-22)31-10-5-7-28-8-11-30-12-9-28/h13-16H,3-12H2,1-2H3,(H,24,25,26,27)
InChIKeyJNRTVZLIHFRYQO-UHFFFAOYSA-N
XLogP4.28
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluorophenyl)-2-{2-[(7-{3-[4-(hydroxymethyl)piperidin-1-yl]propoxy}-6-methoxyquinazolin-4-yl)amino]-1,3-thiazol-5-yl}acetamide
CID 9916282
(4-(3-(6,7-Diethoxy-Quinazolin-4-Ylamino)-Phenyl)-Thiazol-2-Yl)-Methanol
CID 5740
4Sc-203
CID 44467821
6-methoxy-N-(3-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330170
6-methoxy-N-(2-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330171
6-methoxy-N-(4-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330172
6-methoxy-4-({4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]phenyl}amino)-7-[3-(morpholin-4-yl)propoxy]quinoline-3-carbonitrile
CID 21704852
9-Methoxy-8-(2-methoxyethoxy)-2-(4-methyl-1H-imidazol-1-yl)benzo[c]-2,7-naphthyridin-4-amine
CID 44236914
2-[[7-[3-[Ethyl(2-hydroxyethyl)amino]propoxy]-6-methoxy-4-quinazolinyl]amino]-N-(3-fluorophenyl)-5-thiazoleacetamide
CID 11504974
N-(2,3-difluorophenyl)-2-{2-[(7-{3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propoxy}-6-methoxyquinazolin-4-yl)amino]-1,3-thiazol-5-yl}acetamide
CID 11628500
N-(3-fluorophenyl)-2-[2-[[7-[2-[4-(2-hydroxyethyl)piperidin-1-yl]ethoxy]-6-methoxyquinazolin-4-yl]amino]-1,3-thiazol-5-yl]acetamide
CID 11692745
4-Amino-6,7-dimethoxy-2-[4-(2-morpholinopyrimidin-4-yl)piperazino]quinazoline
CID 13869556

Frequently Asked Questions

What is the IUPAC name of 5-butyl-N-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of 5-butyl-N-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine (CID 11633940) is 5-butyl-N-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-butyl-N-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-butyl-N-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine is CCCCc1cnc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)s1.
What is the InChIKey of 5-butyl-N-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is JNRTVZLIHFRYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O3S/c1-3-4-6-17-15-24-23(32-17)27-22-18-13-20(29-2)21(14-19(18)25-16-26-22)31-10-5-7-28-8-11-30-12-9-28/h13-16H,3-12H2,1-2H3,(H,24,25,26,27).
What are the key properties of 5-butyl-N-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine?
5-butyl-N-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 457.60 g/mol, XLogP of 4.28, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-N-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 11633940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).