3-[(4-methylphenyl)methylideneamino]-2-(morpholin-4-ylmethyl)quinazolin-4-one

C21H22N4O2 — CID 171364307

IUPAC3-[(4-methylphenyl)methylideneamino]-2-(morpholin-4-ylmethyl)quinazolin-4-one
SMILESCc1ccc(C=Nn2c(CN3CCOCC3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C21H22N4O2/c1-16-6-8-17(9-7-16)14-22-25-20(15-24-10-12-27-13-11-24)23-19-5-3-2-4-18(19)21(25)26/h2-9,14H,10-13,15H2,1H3
InChIKeyDVKVVYVMKMJAHP-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.42
Rot. Bonds4

About 3-[(4-methylphenyl)methylideneamino]-2-(morpholin-4-ylmethyl)quinazolin-4-one

3-[(4-methylphenyl)methylideneamino]-2-(morpholin-4-ylmethyl)quinazolin-4-one (PubChem CID 171364307) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-[(4-methylphenyl)methylideneamino]-2-(morpholin-4-ylmethyl)quinazolin-4-one.

Molecular Properties

Compound Name3-[(4-methylphenyl)methylideneamino]-2-(morpholin-4-ylmethyl)quinazolin-4-one
PubChem CID171364307
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name3-[(4-methylphenyl)methylideneamino]-2-(morpholin-4-ylmethyl)quinazolin-4-one
SMILESCc1ccc(C=Nn2c(CN3CCOCC3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C21H22N4O2/c1-16-6-8-17(9-7-16)14-22-25-20(15-24-10-12-27-13-11-24)23-19-5-3-2-4-18(19)21(25)26/h2-9,14H,10-13,15H2,1H3
InChIKeyDVKVVYVMKMJAHP-UHFFFAOYSA-N
XLogP2.42
TPSA59.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-(4-methoxyphenyl)methylideneamino]-2-(pyrrolidin-1-ylmethyl)quinazolin-4-one
CID 166593604
2-[(4-methylanilino)methyl]-3-[(E)-(4-nitrophenyl)methylideneamino]quinazolin-4-one
CID 11729350
3-[(E)-benzylideneamino]-2-(bromomethyl)quinazolin-4-one
CID 25197636
2-(morpholin-4-ylmethyl)-3-(2-oxopropyl)quinazolin-4-one
CID 2487613
2-methyl-3-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]quinazolin-4-one
CID 6908048
3-[(Z)-(4-nitrophenyl)methylideneamino]-2-propylquinazolin-4-one
CID 5424130
2-methyl-3-(morpholin-4-ylmethylideneamino)quinazolin-4-one
CID 5125278
3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 765405
3-[(E)-(4-bromophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6863150
2-(5-chloro-1-benzofuran-2-yl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]quinazolin-4-one
CID 126299471
2-(5-bromo-1-benzofuran-2-yl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]quinazolin-4-one
CID 126311701
3-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one
CID 6863529

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)methylideneamino]-2-(morpholin-4-ylmethyl)quinazolin-4-one?
The IUPAC name of 3-[(4-methylphenyl)methylideneamino]-2-(morpholin-4-ylmethyl)quinazolin-4-one (CID 171364307) is 3-[(4-methylphenyl)methylideneamino]-2-(morpholin-4-ylmethyl)quinazolin-4-one.
What is the SMILES notation for 3-[(4-methylphenyl)methylideneamino]-2-(morpholin-4-ylmethyl)quinazolin-4-one?
The canonical SMILES for 3-[(4-methylphenyl)methylideneamino]-2-(morpholin-4-ylmethyl)quinazolin-4-one is Cc1ccc(C=Nn2c(CN3CCOCC3)nc3ccccc3c2=O)cc1.
What is the InChIKey of 3-[(4-methylphenyl)methylideneamino]-2-(morpholin-4-ylmethyl)quinazolin-4-one?
The InChIKey is DVKVVYVMKMJAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-16-6-8-17(9-7-16)14-22-25-20(15-24-10-12-27-13-11-24)23-19-5-3-2-4-18(19)21(25)26/h2-9,14H,10-13,15H2,1H3.
What are the key properties of 3-[(4-methylphenyl)methylideneamino]-2-(morpholin-4-ylmethyl)quinazolin-4-one?
3-[(4-methylphenyl)methylideneamino]-2-(morpholin-4-ylmethyl)quinazolin-4-one has a molecular weight of 362.43 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)methylideneamino]-2-(morpholin-4-ylmethyl)quinazolin-4-one is sourced from PubChem (CID 171364307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).