methyl 2-[6-chloro-2-(3-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate

C23H18Cl2N2O2 — CID 3808079

IUPACmethyl 2-[6-chloro-2-(3-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate
SMILESCOC(=O)CN1C(c2cccc(Cl)c2)=Nc2ccc(Cl)cc2C1c1ccccc1
InChIInChI=1S/C23H18Cl2N2O2/c1-29-21(28)14-27-22(15-6-3-2-4-7-15)19-13-18(25)10-11-20(19)26-23(27)16-8-5-9-17(24)12-16/h2-13,22H,14H2,1H3
InChIKeyUACIDLHDKXVDTL-UHFFFAOYSA-N
MW425.32 g/mol
LogP5.65
Rot. Bonds4

About methyl 2-[6-chloro-2-(3-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate

methyl 2-[6-chloro-2-(3-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate (PubChem CID 3808079) has the molecular formula C23H18Cl2N2O2 and a molecular weight of 425.32 g/mol. Its IUPAC name is methyl 2-[6-chloro-2-(3-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-chloro-2-(3-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate
PubChem CID3808079
Molecular FormulaC23H18Cl2N2O2
Molecular Weight425.32 g/mol
Exact Mass424.07
IUPAC Namemethyl 2-[6-chloro-2-(3-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate
SMILESCOC(=O)CN1C(c2cccc(Cl)c2)=Nc2ccc(Cl)cc2C1c1ccccc1
InChIInChI=1S/C23H18Cl2N2O2/c1-29-21(28)14-27-22(15-6-3-2-4-7-15)19-13-18(25)10-11-20(19)26-23(27)16-8-5-9-17(24)12-16/h2-13,22H,14H2,1H3
InChIKeyUACIDLHDKXVDTL-UHFFFAOYSA-N
XLogP5.65
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.32
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[6-chloro-2-(4-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate
CID 3529531
3-benzyl-6-chloro-2-methyl-4-phenyl-4H-quinazoline
CID 54757706
methyl (6-chloro-2,4-diphenyl-3(4H)-quinazolinyl)acetate
CID 2927143
Methyl 2-(6-chloro-2-methyl-4-phenyl-3,4-dihydroquinazolin-3-yl)acetate
CID 2926799
6-chloro-2-methyl-4-phenyl-3-(2-phenylethyl)-4H-quinazoline
CID 54757707
6-chloro-3-[(3-chlorophenyl)methyl]-2-methyl-4-phenyl-4H-quinazoline
CID 54757710
4-[2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethyl]morpholine
CID 54757806
Methyl 2-(6-methyl-2,4-diphenyl-3,4-dihydroquinazolin-3-yl)acetate
CID 3123254
methyl [6-bromo-2-(2-chlorophenyl)-4-phenylquinazolin-3(4H)-yl]acetate
CID 2862135
ethyl 2-[6-bromo-2-(3-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate
CID 2870249
ethyl 2-(6-bromo-2-(4-chlorophenyl)-4-phenylquinazolin-3(4H)-yl)acetate
CID 2870267
Methyl 2-[6-bromo-2-(4-chlorophenyl)-4-phenyl-3,4-dihydroquinazolin-3-yl]acetate
CID 3117553

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-chloro-2-(3-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate?
The IUPAC name of methyl 2-[6-chloro-2-(3-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate (CID 3808079) is methyl 2-[6-chloro-2-(3-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate.
What is the SMILES notation for methyl 2-[6-chloro-2-(3-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate?
The canonical SMILES for methyl 2-[6-chloro-2-(3-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate is COC(=O)CN1C(c2cccc(Cl)c2)=Nc2ccc(Cl)cc2C1c1ccccc1.
What is the InChIKey of methyl 2-[6-chloro-2-(3-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate?
The InChIKey is UACIDLHDKXVDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N2O2/c1-29-21(28)14-27-22(15-6-3-2-4-7-15)19-13-18(25)10-11-20(19)26-23(27)16-8-5-9-17(24)12-16/h2-13,22H,14H2,1H3.
What are the key properties of methyl 2-[6-chloro-2-(3-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate?
methyl 2-[6-chloro-2-(3-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate has a molecular weight of 425.32 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-chloro-2-(3-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate is sourced from PubChem (CID 3808079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).