2-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-3-phenyl-1,2-dihydroquinazolin-4-one

C29H24Cl2N2O3 — CID 4315101

IUPAC2-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-3-phenyl-1,2-dihydroquinazolin-4-one
SMILESCCOc1cc(C2Nc3ccccc3C(=O)N2c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C29H24Cl2N2O3/c1-2-35-27-17-20(13-15-26(27)36-18-19-12-14-23(30)24(31)16-19)28-32-25-11-7-6-10-22(25)29(34)33(28)21-8-4-3-5-9-21/h3-17,28,32H,2,18H2,1H3
InChIKeyWPDZENYEWDQQAA-UHFFFAOYSA-N
MW519.43 g/mol
LogP7.74
Rot. Bonds7

About 2-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-3-phenyl-1,2-dihydroquinazolin-4-one

2-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-3-phenyl-1,2-dihydroquinazolin-4-one (PubChem CID 4315101) has the molecular formula C29H24Cl2N2O3 and a molecular weight of 519.43 g/mol. Its IUPAC name is 2-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-3-phenyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-3-phenyl-1,2-dihydroquinazolin-4-one
PubChem CID4315101
Molecular FormulaC29H24Cl2N2O3
Molecular Weight519.43 g/mol
Exact Mass518.12
IUPAC Name2-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-3-phenyl-1,2-dihydroquinazolin-4-one
SMILESCCOc1cc(C2Nc3ccccc3C(=O)N2c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C29H24Cl2N2O3/c1-2-35-27-17-20(13-15-26(27)36-18-19-12-14-23(30)24(31)16-19)28-32-25-11-7-6-10-22(25)29(34)33(28)21-8-4-3-5-9-21/h3-17,28,32H,2,18H2,1H3
InChIKeyWPDZENYEWDQQAA-UHFFFAOYSA-N
XLogP7.74
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.43
LogP ≤ 57.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-3-phenyl-1,2-dihydroquinazolin-4-one with MolForge

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Related Compounds

2-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one
CID 3791606
(2R)-2-[3-[(3,4-dichlorophenyl)methoxy]phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one
CID 40977115
3-(4-butylphenyl)-2-(3,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one
CID 176687506
2-[2-ethoxy-4-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenoxy]-N,N-dimethylpropanamide
CID 46802844
3-(3,4-dichlorophenyl)-2-(4-propoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 3122130
(2S)-3-(1,3-benzodioxol-5-yl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 38112608
ethyl 2-[[2-methoxy-5-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]methoxy]benzoate
CID 3717295
(2R)-2-(4-chloro-3-nitrophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 9011842
(2S)-2-(3-ethoxy-4-phenylmethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 28773010
(2S)-2-[3-(difluoromethoxy)-4-methoxyphenyl]-3-phenyl-1,2-dihydroquinazolin-4-one
CID 9006981
(2S)-2-(3-chlorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 2507080
(2S)-3-cyclopropyl-2-(3-ethoxy-4-propoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008714

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-3-phenyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-3-phenyl-1,2-dihydroquinazolin-4-one (CID 4315101) is 2-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-3-phenyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-3-phenyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-3-phenyl-1,2-dihydroquinazolin-4-one is CCOc1cc(C2Nc3ccccc3C(=O)N2c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-3-phenyl-1,2-dihydroquinazolin-4-one?
The InChIKey is WPDZENYEWDQQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24Cl2N2O3/c1-2-35-27-17-20(13-15-26(27)36-18-19-12-14-23(30)24(31)16-19)28-32-25-11-7-6-10-22(25)29(34)33(28)21-8-4-3-5-9-21/h3-17,28,32H,2,18H2,1H3.
What are the key properties of 2-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-3-phenyl-1,2-dihydroquinazolin-4-one?
2-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-3-phenyl-1,2-dihydroquinazolin-4-one has a molecular weight of 519.43 g/mol, XLogP of 7.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-3-phenyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 4315101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).