[2-[(2-cyclohexyl-4-oxoquinazolin-3-yl)iminomethyl]phenyl] acetate

C23H23N3O3 — CID 126307849

IUPAC[2-[(2-cyclohexyl-4-oxoquinazolin-3-yl)iminomethyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1C=Nn1c(C2CCCCC2)nc2ccccc2c1=O
InChIInChI=1S/C23H23N3O3/c1-16(27)29-21-14-8-5-11-18(21)15-24-26-22(17-9-3-2-4-10-17)25-20-13-7-6-12-19(20)23(26)28/h5-8,11-15,17H,2-4,9-10H2,1H3
InChIKeyDDAHNGLZLFQTPY-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.25
Rot. Bonds4

About [2-[(2-cyclohexyl-4-oxoquinazolin-3-yl)iminomethyl]phenyl] acetate

[2-[(2-cyclohexyl-4-oxoquinazolin-3-yl)iminomethyl]phenyl] acetate (PubChem CID 126307849) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is [2-[(2-cyclohexyl-4-oxoquinazolin-3-yl)iminomethyl]phenyl] acetate.

Molecular Properties

Compound Name[2-[(2-cyclohexyl-4-oxoquinazolin-3-yl)iminomethyl]phenyl] acetate
PubChem CID126307849
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name[2-[(2-cyclohexyl-4-oxoquinazolin-3-yl)iminomethyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1C=Nn1c(C2CCCCC2)nc2ccccc2c1=O
InChIInChI=1S/C23H23N3O3/c1-16(27)29-21-14-8-5-11-18(21)15-24-26-22(17-9-3-2-4-10-17)25-20-13-7-6-12-19(20)23(26)28/h5-8,11-15,17H,2-4,9-10H2,1H3
InChIKeyDDAHNGLZLFQTPY-UHFFFAOYSA-N
XLogP4.25
TPSA73.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyl-3-[(2-propan-2-yloxyphenyl)methylideneamino]quinazolin-4-one
CID 126284648
[2,3-dibromo-4-[(2-cyclohexyl-4-oxoquinazolin-3-yl)iminomethyl]-6-methoxyphenyl] acetate
CID 126305785
methyl (2S)-2-[2-[(2-cyclohexyl-4-oxoquinazolin-3-yl)iminomethyl]-6-methoxyphenoxy]propanoate
CID 126303224
[2-bromo-6-chloro-4-[(2-cyclohexyl-4-oxoquinazolin-3-yl)iminomethyl]phenyl] acetate
CID 126285471
2-[2-[(2-cyclohexyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide
CID 126304710
(2S)-2-[4-bromo-2-[(2-cyclohexyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]propanoic acid
CID 126302814
methyl 2-[2-[(6-bromo-2-cyclohexyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetate
CID 126324919
(2R)-2-[4-bromo-2-[(2-cyclohexyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]propanoic acid
CID 126302815
2-[2-[(2-cyclohexyl-4-oxoquinazolin-3-yl)iminomethyl]-6-methoxyphenoxy]-N-(2-fluorophenyl)acetamide
CID 126289432
3-[(2-bromo-4,5-diethoxyphenyl)methylideneamino]-2-cyclohexylquinazolin-4-one
CID 126306998
3-[(5-chloro-2-ethoxyphenyl)methylideneamino]-2-cyclohexylquinazolin-4-one
CID 126284783
3-[(2-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-cyclohexylquinazolin-4-one
CID 137090029

Frequently Asked Questions

What is the IUPAC name of [2-[(2-cyclohexyl-4-oxoquinazolin-3-yl)iminomethyl]phenyl] acetate?
The IUPAC name of [2-[(2-cyclohexyl-4-oxoquinazolin-3-yl)iminomethyl]phenyl] acetate (CID 126307849) is [2-[(2-cyclohexyl-4-oxoquinazolin-3-yl)iminomethyl]phenyl] acetate.
What is the SMILES notation for [2-[(2-cyclohexyl-4-oxoquinazolin-3-yl)iminomethyl]phenyl] acetate?
The canonical SMILES for [2-[(2-cyclohexyl-4-oxoquinazolin-3-yl)iminomethyl]phenyl] acetate is CC(=O)Oc1ccccc1C=Nn1c(C2CCCCC2)nc2ccccc2c1=O.
What is the InChIKey of [2-[(2-cyclohexyl-4-oxoquinazolin-3-yl)iminomethyl]phenyl] acetate?
The InChIKey is DDAHNGLZLFQTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-16(27)29-21-14-8-5-11-18(21)15-24-26-22(17-9-3-2-4-10-17)25-20-13-7-6-12-19(20)23(26)28/h5-8,11-15,17H,2-4,9-10H2,1H3.
What are the key properties of [2-[(2-cyclohexyl-4-oxoquinazolin-3-yl)iminomethyl]phenyl] acetate?
[2-[(2-cyclohexyl-4-oxoquinazolin-3-yl)iminomethyl]phenyl] acetate has a molecular weight of 389.46 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-cyclohexyl-4-oxoquinazolin-3-yl)iminomethyl]phenyl] acetate is sourced from PubChem (CID 126307849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).