2-methyl-3-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]quinazolin-4-one

C18H18N4O2S — CID 6908048

IUPAC2-methyl-3-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]quinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1/N=C/c1ccc(N2CCOCC2)s1
InChIInChI=1S/C18H18N4O2S/c1-13-20-16-5-3-2-4-15(16)18(23)22(13)19-12-14-6-7-17(25-14)21-8-10-24-11-9-21/h2-7,12H,8-11H2,1H3/b19-12+
InChIKeyCSTAWVFKLABVDS-XDHOZWIPSA-N
MW354.44 g/mol
LogP2.49
Rot. Bonds3

About 2-methyl-3-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]quinazolin-4-one

2-methyl-3-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]quinazolin-4-one (PubChem CID 6908048) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 2-methyl-3-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]quinazolin-4-one.

Molecular Properties

Compound Name2-methyl-3-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]quinazolin-4-one
PubChem CID6908048
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name2-methyl-3-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]quinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1/N=C/c1ccc(N2CCOCC2)s1
InChIInChI=1S/C18H18N4O2S/c1-13-20-16-5-3-2-4-15(16)18(23)22(13)19-12-14-6-7-17(25-14)21-8-10-24-11-9-21/h2-7,12H,8-11H2,1H3/b19-12+
InChIKeyCSTAWVFKLABVDS-XDHOZWIPSA-N
XLogP2.49
TPSA59.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-(morpholin-4-ylmethylideneamino)quinazolin-4-one
CID 5125278
3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 765405
2-(2-methylbenzimidazol-1-yl)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]acetamide
CID 9121478
3-[(4-methylphenyl)methylideneamino]-2-(morpholin-4-ylmethyl)quinazolin-4-one
CID 171364307
3-[(E)-(4-bromophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6863150
3-[(E)-(2-bromophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6908041
2-methyl-3-(2-morpholin-4-ylphenyl)quinazolin-4-one
CID 45258529
3-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 936423
3-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 136721220
N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1,3-benzoxazol-2-amine
CID 4047872
2-methyl-3-[(E)-(3-methylphenyl)methylideneamino]quinazolin-4-one
CID 6906270
2-methyl-3-(pyridin-3-ylmethylideneamino)quinazolin-4-one
CID 882703

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]quinazolin-4-one?
The IUPAC name of 2-methyl-3-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]quinazolin-4-one (CID 6908048) is 2-methyl-3-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]quinazolin-4-one.
What is the SMILES notation for 2-methyl-3-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]quinazolin-4-one?
The canonical SMILES for 2-methyl-3-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]quinazolin-4-one is Cc1nc2ccccc2c(=O)n1/N=C/c1ccc(N2CCOCC2)s1.
What is the InChIKey of 2-methyl-3-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]quinazolin-4-one?
The InChIKey is CSTAWVFKLABVDS-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-13-20-16-5-3-2-4-15(16)18(23)22(13)19-12-14-6-7-17(25-14)21-8-10-24-11-9-21/h2-7,12H,8-11H2,1H3/b19-12+.
What are the key properties of 2-methyl-3-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]quinazolin-4-one?
2-methyl-3-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]quinazolin-4-one has a molecular weight of 354.44 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]quinazolin-4-one is sourced from PubChem (CID 6908048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).