2-methyl-3-[(Z)-(4-pentoxyphenyl)methylideneamino]quinazolin-4-one

C21H23N3O2 — CID 9239429

IUPAC2-methyl-3-[(Z)-(4-pentoxyphenyl)methylideneamino]quinazolin-4-one
SMILESCCCCCOc1ccc(/C=N\n2c(C)nc3ccccc3c2=O)cc1
InChIInChI=1S/C21H23N3O2/c1-3-4-7-14-26-18-12-10-17(11-13-18)15-22-24-16(2)23-20-9-6-5-8-19(20)21(24)25/h5-6,8-13,15H,3-4,7,14H2,1-2H3/b22-15-
InChIKeyJMPRQTLDSYDYJW-JCMHNJIXSA-N
MW349.43 g/mol
LogP4.16
Rot. Bonds7

About 2-methyl-3-[(Z)-(4-pentoxyphenyl)methylideneamino]quinazolin-4-one

2-methyl-3-[(Z)-(4-pentoxyphenyl)methylideneamino]quinazolin-4-one (PubChem CID 9239429) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-methyl-3-[(Z)-(4-pentoxyphenyl)methylideneamino]quinazolin-4-one.

Molecular Properties

Compound Name2-methyl-3-[(Z)-(4-pentoxyphenyl)methylideneamino]quinazolin-4-one
PubChem CID9239429
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-methyl-3-[(Z)-(4-pentoxyphenyl)methylideneamino]quinazolin-4-one
SMILESCCCCCOc1ccc(/C=N\n2c(C)nc3ccccc3c2=O)cc1
InChIInChI=1S/C21H23N3O2/c1-3-4-7-14-26-18-12-10-17(11-13-18)15-22-24-16(2)23-20-9-6-5-8-19(20)21(24)25/h5-6,8-13,15H,3-4,7,14H2,1-2H3/b22-15-
InChIKeyJMPRQTLDSYDYJW-JCMHNJIXSA-N
XLogP4.16
TPSA56.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-[4-(4-chlorophenoxy)phenyl]methylideneamino]-2-methylquinazolin-4-one
CID 52915607
3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 765405
3-[(Z)-(4-butoxyphenyl)methylideneamino]quinazolin-4-one
CID 29456331
3-[(E)-(4-bromophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6863150
3-[(3,5-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 2643412
3-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-2-methylquinazolin-4-one
CID 2463847
3-[(3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 2593639
2-phenyl-3-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]quinazolin-4-one
CID 71566728
2-methyl-3-[(E)-(3-methylphenyl)methylideneamino]quinazolin-4-one
CID 6906270
3-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 5209778
3-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methylideneamino]-2-methylquinazolin-4-one
CID 23350628
3-[4-[3-(hexylamino)propoxy]phenyl]-2-methylquinazolin-4-one
CID 141120873

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(Z)-(4-pentoxyphenyl)methylideneamino]quinazolin-4-one?
The IUPAC name of 2-methyl-3-[(Z)-(4-pentoxyphenyl)methylideneamino]quinazolin-4-one (CID 9239429) is 2-methyl-3-[(Z)-(4-pentoxyphenyl)methylideneamino]quinazolin-4-one.
What is the SMILES notation for 2-methyl-3-[(Z)-(4-pentoxyphenyl)methylideneamino]quinazolin-4-one?
The canonical SMILES for 2-methyl-3-[(Z)-(4-pentoxyphenyl)methylideneamino]quinazolin-4-one is CCCCCOc1ccc(/C=N\n2c(C)nc3ccccc3c2=O)cc1.
What is the InChIKey of 2-methyl-3-[(Z)-(4-pentoxyphenyl)methylideneamino]quinazolin-4-one?
The InChIKey is JMPRQTLDSYDYJW-JCMHNJIXSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-3-4-7-14-26-18-12-10-17(11-13-18)15-22-24-16(2)23-20-9-6-5-8-19(20)21(24)25/h5-6,8-13,15H,3-4,7,14H2,1-2H3/b22-15-.
What are the key properties of 2-methyl-3-[(Z)-(4-pentoxyphenyl)methylideneamino]quinazolin-4-one?
2-methyl-3-[(Z)-(4-pentoxyphenyl)methylideneamino]quinazolin-4-one has a molecular weight of 349.43 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(Z)-(4-pentoxyphenyl)methylideneamino]quinazolin-4-one is sourced from PubChem (CID 9239429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).