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

C29H34N6O4S — CID 11592171

IUPACN-ethyl-2-[2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide
SMILESCCN(C(=O)Cc1cnc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)s1)c1ccccc1
InChIInChI=1S/C29H34N6O4S/c1-3-35(21-8-5-4-6-9-21)27(36)16-22-19-30-29(40-22)33-28-23-17-25(37-2)26(18-24(23)31-20-32-28)39-13-7-10-34-11-14-38-15-12-34/h4-6,8-9,17-20H,3,7,10-16H2,1-2H3,(H,30,31,32,33)
InChIKeyUCPDUMRVOIJGJU-UHFFFAOYSA-N
MW562.70 g/mol
LogP4.54
Rot. Bonds12

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

N-ethyl-2-[2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide (PubChem CID 11592171) has the molecular formula C29H34N6O4S and a molecular weight of 562.70 g/mol. Its IUPAC name is N-ethyl-2-[2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide
PubChem CID11592171
Molecular FormulaC29H34N6O4S
Molecular Weight562.70 g/mol
Exact Mass562.24
IUPAC NameN-ethyl-2-[2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide
SMILESCCN(C(=O)Cc1cnc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)s1)c1ccccc1
InChIInChI=1S/C29H34N6O4S/c1-3-35(21-8-5-4-6-9-21)27(36)16-22-19-30-29(40-22)33-28-23-17-25(37-2)26(18-24(23)31-20-32-28)39-13-7-10-34-11-14-38-15-12-34/h4-6,8-9,17-20H,3,7,10-16H2,1-2H3,(H,30,31,32,33)
InChIKeyUCPDUMRVOIJGJU-UHFFFAOYSA-N
XLogP4.54
TPSA101.94 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.70
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide?
The IUPAC name of N-ethyl-2-[2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide (CID 11592171) is N-ethyl-2-[2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide.
What is the SMILES notation for N-ethyl-2-[2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide?
The canonical SMILES for N-ethyl-2-[2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide is CCN(C(=O)Cc1cnc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)s1)c1ccccc1.
What is the InChIKey of N-ethyl-2-[2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide?
The InChIKey is UCPDUMRVOIJGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O4S/c1-3-35(21-8-5-4-6-9-21)27(36)16-22-19-30-29(40-22)33-28-23-17-25(37-2)26(18-24(23)31-20-32-28)39-13-7-10-34-11-14-38-15-12-34/h4-6,8-9,17-20H,3,7,10-16H2,1-2H3,(H,30,31,32,33).
What are the key properties of N-ethyl-2-[2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide?
N-ethyl-2-[2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide has a molecular weight of 562.70 g/mol, XLogP of 4.54, 12 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-thiazol-5-yl]-N-phenylacetamide is sourced from PubChem (CID 11592171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).