8-[3,4-dichloro-N-[2-(4-methylphenyl)ethenyl]anilino]-3H-quinazolin-4-one

C23H17Cl2N3O — CID 173255978

IUPAC8-[3,4-dichloro-N-[2-(4-methylphenyl)ethenyl]anilino]-3H-quinazolin-4-one
SMILESCc1ccc(C=CN(c2ccc(Cl)c(Cl)c2)c2cccc3c(=O)[nH]cnc23)cc1
InChIInChI=1S/C23H17Cl2N3O/c1-15-5-7-16(8-6-15)11-12-28(17-9-10-19(24)20(25)13-17)21-4-2-3-18-22(21)26-14-27-23(18)29/h2-14H,1H3,(H,26,27,29)
InChIKeyZMDSNRIASDWMDP-UHFFFAOYSA-N
MW422.32 g/mol
LogP6.35
Rot. Bonds4

About 8-[3,4-dichloro-N-[2-(4-methylphenyl)ethenyl]anilino]-3H-quinazolin-4-one

8-[3,4-dichloro-N-[2-(4-methylphenyl)ethenyl]anilino]-3H-quinazolin-4-one (PubChem CID 173255978) has the molecular formula C23H17Cl2N3O and a molecular weight of 422.32 g/mol. Its IUPAC name is 8-[3,4-dichloro-N-[2-(4-methylphenyl)ethenyl]anilino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-[3,4-dichloro-N-[2-(4-methylphenyl)ethenyl]anilino]-3H-quinazolin-4-one
PubChem CID173255978
Molecular FormulaC23H17Cl2N3O
Molecular Weight422.32 g/mol
Exact Mass421.07
IUPAC Name8-[3,4-dichloro-N-[2-(4-methylphenyl)ethenyl]anilino]-3H-quinazolin-4-one
SMILESCc1ccc(C=CN(c2ccc(Cl)c(Cl)c2)c2cccc3c(=O)[nH]cnc23)cc1
InChIInChI=1S/C23H17Cl2N3O/c1-15-5-7-16(8-6-15)11-12-28(17-9-10-19(24)20(25)13-17)21-4-2-3-18-22(21)26-14-27-23(18)29/h2-14H,1H3,(H,26,27,29)
InChIKeyZMDSNRIASDWMDP-UHFFFAOYSA-N
XLogP6.35
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.32
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-dichloro-4-[(Z)-2-(4-methylphenyl)ethenyl]benzene
CID 129289672
8-(5-bromo-2-methyl-3-pyridinyl)-3H-quinazolin-4-one
CID 142793210
8-bromo-6-methyl-3H-quinazolin-4-one
CID 135743687
5-chloro-4-(2-chloro-4-methylphenoxy)-1H-pyrimidin-6-one
CID 114676397
3-N,3-N,10-N-tris(4-methylphenyl)-10-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]perylene-3,10-diamine
CID 20789612
4-chloro-2H-isoquinolin-1-one;4-chloro-7-methyl-2H-isoquinolin-1-one
CID 157483481
N,N-diphenyl-4-[2-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline;4-methyl-N-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;4-methyl-N-[4-[2-[4-[2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline;N-[4-[4-[N-naphthalen-1-yl-4-(2-phenylethenyl)anilino]phenyl]phenyl]-N-[4-(2-phenylethenyl)phenyl]naphthalen-1-amine
CID 161488206
N-[(E)-2-[9-[3-[3-[(E)-2-(4-methyl-N-(4-methylphenyl)anilino)ethenyl]carbazol-9-yl]phenyl]carbazol-3-yl]ethenyl]-N-phenylnaphthalen-1-amine
CID 163629458
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-triphenylen-2-ylphenyl)ethenyl]phenyl]aniline
CID 89314584
4-methyl-N-(7-methyl-4-oxo-3H-quinazolin-8-yl)benzenesulfonamide
CID 169373092
1,3-dichloro-2-[(E)-2-(4-methylphenyl)ethenyl]benzene
CID 118370759
N-(2,6-dichlorophenyl)-N-(4-methylphenyl)formamide
CID 86175023

Frequently Asked Questions

What is the IUPAC name of 8-[3,4-dichloro-N-[2-(4-methylphenyl)ethenyl]anilino]-3H-quinazolin-4-one?
The IUPAC name of 8-[3,4-dichloro-N-[2-(4-methylphenyl)ethenyl]anilino]-3H-quinazolin-4-one (CID 173255978) is 8-[3,4-dichloro-N-[2-(4-methylphenyl)ethenyl]anilino]-3H-quinazolin-4-one.
What is the SMILES notation for 8-[3,4-dichloro-N-[2-(4-methylphenyl)ethenyl]anilino]-3H-quinazolin-4-one?
The canonical SMILES for 8-[3,4-dichloro-N-[2-(4-methylphenyl)ethenyl]anilino]-3H-quinazolin-4-one is Cc1ccc(C=CN(c2ccc(Cl)c(Cl)c2)c2cccc3c(=O)[nH]cnc23)cc1.
What is the InChIKey of 8-[3,4-dichloro-N-[2-(4-methylphenyl)ethenyl]anilino]-3H-quinazolin-4-one?
The InChIKey is ZMDSNRIASDWMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N3O/c1-15-5-7-16(8-6-15)11-12-28(17-9-10-19(24)20(25)13-17)21-4-2-3-18-22(21)26-14-27-23(18)29/h2-14H,1H3,(H,26,27,29).
What are the key properties of 8-[3,4-dichloro-N-[2-(4-methylphenyl)ethenyl]anilino]-3H-quinazolin-4-one?
8-[3,4-dichloro-N-[2-(4-methylphenyl)ethenyl]anilino]-3H-quinazolin-4-one has a molecular weight of 422.32 g/mol, XLogP of 6.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3,4-dichloro-N-[2-(4-methylphenyl)ethenyl]anilino]-3H-quinazolin-4-one is sourced from PubChem (CID 173255978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).