3-[(2-methyl-4-piperidin-1-ylphenyl)methylideneamino]-1H-quinazoline-2,4-dione

C21H22N4O2 — CID 4313014

IUPAC3-[(2-methyl-4-piperidin-1-ylphenyl)methylideneamino]-1H-quinazoline-2,4-dione
SMILESCc1cc(N2CCCCC2)ccc1C=Nn1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C21H22N4O2/c1-15-13-17(24-11-5-2-6-12-24)10-9-16(15)14-22-25-20(26)18-7-3-4-8-19(18)23-21(25)27/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3,(H,23,27)
InChIKeyIHHLLBLEWLDHRL-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.87
Rot. Bonds3

About 3-[(2-methyl-4-piperidin-1-ylphenyl)methylideneamino]-1H-quinazoline-2,4-dione

3-[(2-methyl-4-piperidin-1-ylphenyl)methylideneamino]-1H-quinazoline-2,4-dione (PubChem CID 4313014) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-[(2-methyl-4-piperidin-1-ylphenyl)methylideneamino]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[(2-methyl-4-piperidin-1-ylphenyl)methylideneamino]-1H-quinazoline-2,4-dione
PubChem CID4313014
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name3-[(2-methyl-4-piperidin-1-ylphenyl)methylideneamino]-1H-quinazoline-2,4-dione
SMILESCc1cc(N2CCCCC2)ccc1C=Nn1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C21H22N4O2/c1-15-13-17(24-11-5-2-6-12-24)10-9-16(15)14-22-25-20(26)18-7-3-4-8-19(18)23-21(25)27/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3,(H,23,27)
InChIKeyIHHLLBLEWLDHRL-UHFFFAOYSA-N
XLogP2.87
TPSA70.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-methyl-4-piperidin-1-ylphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 4593857
3-[(4,5-diethoxy-2-methylphenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 3897658
3-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 135652455
3-[(2,4-dimethoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 4302099
2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-[(2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]quinazolin-4-one
CID 126285682
(2-methyl-4-piperidin-1-ylphenyl)methylidenehydrazine
CID 168530146
3-[(5-bromo-2-methoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 5217285
4-[3-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2,5-dimethylpyrrol-1-yl]-3-methylbenzoic acid
CID 5158587
3-[(1-ethylindol-3-yl)methylideneamino]-1H-quinazoline-2,4-dione
CID 3992517
3-[(E)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 135613701
N-[3-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2,5-dimethylpyrrol-1-yl]benzamide
CID 4212891
3-[[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]-1H-quinazoline-2,4-dione
CID 3393683

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-4-piperidin-1-ylphenyl)methylideneamino]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[(2-methyl-4-piperidin-1-ylphenyl)methylideneamino]-1H-quinazoline-2,4-dione (CID 4313014) is 3-[(2-methyl-4-piperidin-1-ylphenyl)methylideneamino]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[(2-methyl-4-piperidin-1-ylphenyl)methylideneamino]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[(2-methyl-4-piperidin-1-ylphenyl)methylideneamino]-1H-quinazoline-2,4-dione is Cc1cc(N2CCCCC2)ccc1C=Nn1c(=O)[nH]c2ccccc2c1=O.
What is the InChIKey of 3-[(2-methyl-4-piperidin-1-ylphenyl)methylideneamino]-1H-quinazoline-2,4-dione?
The InChIKey is IHHLLBLEWLDHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-15-13-17(24-11-5-2-6-12-24)10-9-16(15)14-22-25-20(26)18-7-3-4-8-19(18)23-21(25)27/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3,(H,23,27).
What are the key properties of 3-[(2-methyl-4-piperidin-1-ylphenyl)methylideneamino]-1H-quinazoline-2,4-dione?
3-[(2-methyl-4-piperidin-1-ylphenyl)methylideneamino]-1H-quinazoline-2,4-dione has a molecular weight of 362.43 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-4-piperidin-1-ylphenyl)methylideneamino]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 4313014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).