2-[4-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]butyl]isoindole-1,3-dione

C27H23N3O4 — CID 143618036

IUPAC2-[4-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]butyl]isoindole-1,3-dione
SMILESCOc1ccccc1-n1c(CCCCN2C(=O)c3ccccc3C2=O)nc2ccccc2c1=O
InChIInChI=1S/C27H23N3O4/c1-34-23-15-7-6-14-22(23)30-24(28-21-13-5-4-12-20(21)27(30)33)16-8-9-17-29-25(31)18-10-2-3-11-19(18)26(29)32/h2-7,10-15H,8-9,16-17H2,1H3
InChIKeyZZFOIRMDCICOSV-UHFFFAOYSA-N
MW453.50 g/mol
LogP4.01
Rot. Bonds7

About 2-[4-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]butyl]isoindole-1,3-dione

2-[4-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]butyl]isoindole-1,3-dione (PubChem CID 143618036) has the molecular formula C27H23N3O4 and a molecular weight of 453.50 g/mol. Its IUPAC name is 2-[4-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]butyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]butyl]isoindole-1,3-dione
PubChem CID143618036
Molecular FormulaC27H23N3O4
Molecular Weight453.50 g/mol
Exact Mass453.17
IUPAC Name2-[4-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]butyl]isoindole-1,3-dione
SMILESCOc1ccccc1-n1c(CCCCN2C(=O)c3ccccc3C2=O)nc2ccccc2c1=O
InChIInChI=1S/C27H23N3O4/c1-34-23-15-7-6-14-22(23)30-24(28-21-13-5-4-12-20(21)27(30)33)16-8-9-17-29-25(31)18-10-2-3-11-19(18)26(29)32/h2-7,10-15H,8-9,16-17H2,1H3
InChIKeyZZFOIRMDCICOSV-UHFFFAOYSA-N
XLogP4.01
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione
CID 1366773
2-[3-[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione
CID 1497142
3-(2-methoxyphenyl)-2-[(E)-(2-oxo-1-propylindol-3-ylidene)methyl]quinazolin-4-one
CID 39861690
2-(2-butoxyethoxymethyl)-3-(2-methoxyphenyl)quinazolin-4-one
CID 10429989
2-ethyl-3-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-one
CID 101460145
2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]isoindole-1,3-dione
CID 139959232
2-[3-[3-[2-(3,4-diethoxyphenyl)ethyl]-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione;hydrochloride
CID 163328708
2-[4-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutyl]isoindole-1,3-dione
CID 16535355
2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyphenyl)quinazolin-4-one
CID 769883
2-[(1S)-1-(butylamino)ethyl]-3-(2-methoxyphenyl)quinazolin-4-one
CID 7236674
2-butyl-3-[2-(methylamino)phenyl]quinazolin-4-one
CID 71072745
3-(2-methoxyphenyl)-2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanylquinazolin-4-one
CID 3305667

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]butyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]butyl]isoindole-1,3-dione (CID 143618036) is 2-[4-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]butyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]butyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]butyl]isoindole-1,3-dione is COc1ccccc1-n1c(CCCCN2C(=O)c3ccccc3C2=O)nc2ccccc2c1=O.
What is the InChIKey of 2-[4-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]butyl]isoindole-1,3-dione?
The InChIKey is ZZFOIRMDCICOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O4/c1-34-23-15-7-6-14-22(23)30-24(28-21-13-5-4-12-20(21)27(30)33)16-8-9-17-29-25(31)18-10-2-3-11-19(18)26(29)32/h2-7,10-15H,8-9,16-17H2,1H3.
What are the key properties of 2-[4-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]butyl]isoindole-1,3-dione?
2-[4-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]butyl]isoindole-1,3-dione has a molecular weight of 453.50 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]butyl]isoindole-1,3-dione is sourced from PubChem (CID 143618036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).