2-(3,4-dimethoxyphenyl)-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]quinazolin-4-one

C26H25N3O4 — CID 46498369

IUPAC2-(3,4-dimethoxyphenyl)-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]quinazolin-4-one
SMILESCOc1ccccc1/C=C/CNn1c(-c2ccc(OC)c(OC)c2)nc2ccccc2c1=O
InChIInChI=1S/C26H25N3O4/c1-31-22-13-7-4-9-18(22)10-8-16-27-29-25(19-14-15-23(32-2)24(17-19)33-3)28-21-12-6-5-11-20(21)26(29)30/h4-15,17,27H,16H2,1-3H3/b10-8+
InChIKeyHABNVFAKTIESBA-CSKARUKUSA-N
MW443.50 g/mol
LogP4.35
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]quinazolin-4-one

2-(3,4-dimethoxyphenyl)-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]quinazolin-4-one (PubChem CID 46498369) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]quinazolin-4-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]quinazolin-4-one
PubChem CID46498369
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC Name2-(3,4-dimethoxyphenyl)-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]quinazolin-4-one
SMILESCOc1ccccc1/C=C/CNn1c(-c2ccc(OC)c(OC)c2)nc2ccccc2c1=O
InChIInChI=1S/C26H25N3O4/c1-31-22-13-7-4-9-18(22)10-8-16-27-29-25(19-14-15-23(32-2)24(17-19)33-3)28-21-12-6-5-11-20(21)26(29)30/h4-15,17,27H,16H2,1-3H3/b10-8+
InChIKeyHABNVFAKTIESBA-CSKARUKUSA-N
XLogP4.35
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(3,4-dimethoxyphenyl)-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]quinazolin-4-one with MolForge

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Related Compounds

3-[(2-ethoxyphenyl)methylamino]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one
CID 23761607
(E)-3-(2-chlorophenyl)-N-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]prop-2-enamide
CID 45105372
2-(3,4-dimethoxyphenyl)-3-[(E)-(3,4-dimethoxyphenyl)methylideneamino]quinazolin-4-one
CID 6859761
3-[[4-(difluoromethoxy)phenyl]methylamino]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one
CID 6615142
3-[(4-methoxyphenyl)methylamino]-2-(3-methylphenyl)quinazolin-4-one
CID 23907241
3-[(5-bromo-2-hydroxyphenyl)methylamino]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one
CID 6615114
3-[(2-hydroxy-3-methoxyphenyl)methylamino]-2-pyridin-4-ylquinazolin-4-one
CID 23992350
3-[(4-bromophenyl)methylamino]-2-(2-methoxyphenyl)quinazolin-4-one
CID 24987957
3-(benzylamino)-2-(4-fluorophenyl)quinazolin-4-one
CID 3389245
N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]-2,3-dimethoxybenzamide
CID 23847600
3-[(4-bromophenyl)methylamino]-2-(3,5-dimethoxyphenyl)quinazolin-4-one
CID 24990560
3-anilino-2-(2-methoxyphenyl)quinazolin-4-one
CID 134956314

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]quinazolin-4-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]quinazolin-4-one (CID 46498369) is 2-(3,4-dimethoxyphenyl)-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]quinazolin-4-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]quinazolin-4-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]quinazolin-4-one is COc1ccccc1/C=C/CNn1c(-c2ccc(OC)c(OC)c2)nc2ccccc2c1=O.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]quinazolin-4-one?
The InChIKey is HABNVFAKTIESBA-CSKARUKUSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-31-22-13-7-4-9-18(22)10-8-16-27-29-25(19-14-15-23(32-2)24(17-19)33-3)28-21-12-6-5-11-20(21)26(29)30/h4-15,17,27H,16H2,1-3H3/b10-8+.
What are the key properties of 2-(3,4-dimethoxyphenyl)-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]quinazolin-4-one?
2-(3,4-dimethoxyphenyl)-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]quinazolin-4-one has a molecular weight of 443.50 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]quinazolin-4-one is sourced from PubChem (CID 46498369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).