2-cyclohexyl-3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]quinazolin-4-one

C26H31N3O2 — CID 126311649

IUPAC2-cyclohexyl-3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]quinazolin-4-one
SMILESCOc1cc(C)c(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1C(C)C
InChIInChI=1S/C26H31N3O2/c1-17(2)22-15-20(18(3)14-24(22)31-4)16-27-29-25(19-10-6-5-7-11-19)28-23-13-9-8-12-21(23)26(29)30/h8-9,12-17,19H,5-7,10-11H2,1-4H3
InChIKeyNHTDWOLEYAUIMS-UHFFFAOYSA-N
MW417.55 g/mol
LogP5.77
Rot. Bonds5

About 2-cyclohexyl-3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]quinazolin-4-one

2-cyclohexyl-3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]quinazolin-4-one (PubChem CID 126311649) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is 2-cyclohexyl-3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]quinazolin-4-one.

Molecular Properties

Compound Name2-cyclohexyl-3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]quinazolin-4-one
PubChem CID126311649
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC Name2-cyclohexyl-3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]quinazolin-4-one
SMILESCOc1cc(C)c(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1C(C)C
InChIInChI=1S/C26H31N3O2/c1-17(2)22-15-20(18(3)14-24(22)31-4)16-27-29-25(19-10-6-5-7-11-19)28-23-13-9-8-12-21(23)26(29)30/h8-9,12-17,19H,5-7,10-11H2,1-4H3
InChIKeyNHTDWOLEYAUIMS-UHFFFAOYSA-N
XLogP5.77
TPSA56.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.55
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyl-3-[(2-propan-2-yloxyphenyl)methylideneamino]quinazolin-4-one
CID 126284648
3-[(5-chloro-3-methoxy-2-prop-2-ynoxyphenyl)methylideneamino]-2-cyclohexylquinazolin-4-one
CID 126286700
2-cyclohexyl-3-[[2,3-dibromo-4-[(2R)-butan-2-yl]oxy-5-methoxyphenyl]methylideneamino]quinazolin-4-one
CID 126302076
methyl (2S)-2-[2-[(2-cyclohexyl-4-oxoquinazolin-3-yl)iminomethyl]-6-methoxyphenoxy]propanoate
CID 126303224
3-[(5-chloro-2-ethoxyphenyl)methylideneamino]-2-cyclohexylquinazolin-4-one
CID 126284783
3-[[5-chloro-3-methoxy-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-cyclohexylquinazolin-4-one
CID 126297056
2-cyclohexyl-3-[(3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]quinazolin-4-one
CID 126314048
[2,3-dibromo-4-[(2-cyclohexyl-4-oxoquinazolin-3-yl)iminomethyl]-6-methoxyphenyl] acetate
CID 126305785
propan-2-yl 2-[4-bromo-2-[(2-cyclohexyl-4-oxoquinazolin-3-yl)iminomethyl]-6-methoxyphenoxy]acetate
CID 126302101
3-[(2-bromo-4,5-diethoxyphenyl)methylideneamino]-2-cyclohexylquinazolin-4-one
CID 126306998
6-bromo-3-[(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-cyclohexylquinazolin-4-one
CID 126331207
2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-[(2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]quinazolin-4-one
CID 126285682

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]quinazolin-4-one?
The IUPAC name of 2-cyclohexyl-3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]quinazolin-4-one (CID 126311649) is 2-cyclohexyl-3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]quinazolin-4-one.
What is the SMILES notation for 2-cyclohexyl-3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]quinazolin-4-one?
The canonical SMILES for 2-cyclohexyl-3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]quinazolin-4-one is COc1cc(C)c(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1C(C)C.
What is the InChIKey of 2-cyclohexyl-3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]quinazolin-4-one?
The InChIKey is NHTDWOLEYAUIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2/c1-17(2)22-15-20(18(3)14-24(22)31-4)16-27-29-25(19-10-6-5-7-11-19)28-23-13-9-8-12-21(23)26(29)30/h8-9,12-17,19H,5-7,10-11H2,1-4H3.
What are the key properties of 2-cyclohexyl-3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]quinazolin-4-one?
2-cyclohexyl-3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]quinazolin-4-one has a molecular weight of 417.55 g/mol, XLogP of 5.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]quinazolin-4-one is sourced from PubChem (CID 126311649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).