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

C24H21ClN2O3 — CID 3717703

IUPACmethyl 2-[6-chloro-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]acetate
SMILESCOC(=O)CN1C(c2ccc(OC)cc2)=Nc2ccc(Cl)cc2C1c1ccccc1
InChIInChI=1S/C24H21ClN2O3/c1-29-19-11-8-17(9-12-19)24-26-21-13-10-18(25)14-20(21)23(16-6-4-3-5-7-16)27(24)15-22(28)30-2/h3-14,23H,15H2,1-2H3
InChIKeyOMIWVZGQMXEZLZ-UHFFFAOYSA-N
MW420.90 g/mol
LogP5.00
Rot. Bonds5

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

methyl 2-[6-chloro-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]acetate (PubChem CID 3717703) has the molecular formula C24H21ClN2O3 and a molecular weight of 420.90 g/mol. Its IUPAC name is methyl 2-[6-chloro-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-chloro-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]acetate
PubChem CID3717703
Molecular FormulaC24H21ClN2O3
Molecular Weight420.90 g/mol
Exact Mass420.12
IUPAC Namemethyl 2-[6-chloro-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]acetate
SMILESCOC(=O)CN1C(c2ccc(OC)cc2)=Nc2ccc(Cl)cc2C1c1ccccc1
InChIInChI=1S/C24H21ClN2O3/c1-29-19-11-8-17(9-12-19)24-26-21-13-10-18(25)14-20(21)23(16-6-4-3-5-7-16)27(24)15-22(28)30-2/h3-14,23H,15H2,1-2H3
InChIKeyOMIWVZGQMXEZLZ-UHFFFAOYSA-N
XLogP5.00
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.90
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[6-chloro-2-(3-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate
CID 3808079
methyl 3-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]propanoate
CID 178090791
2-[2-(4-methoxyphenyl)-6-methyl-4-phenyl-4H-quinazolin-3-yl]acetohydrazide
CID 3137629
2-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]-N-phenylacetamide
CID 178090840
methyl 2-[(4S)-6-bromo-4-phenyl-2-(3,4,5-trimethoxyphenyl)-4H-quinazolin-3-yl]acetate
CID 2135935
2-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]-1-morpholin-4-ylethanone
CID 178090894
ethyl 2-[6-bromo-2-(3-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate
CID 2870249
3-[(4S)-6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol
CID 178090768
3-[6-chloro-2-(5-methoxy-2-pyridinyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol
CID 178090896
methyl 2-[6-bromo-4-(3-chlorophenyl)-2-methyl-4H-quinazolin-3-yl]acetate
CID 86807867
2-[(4S)-6-bromo-2-(4-bromophenyl)-4-phenyl-4H-quinazolin-3-yl]acetohydrazide
CID 1106483
2-[6-bromo-2-(4-bromophenyl)-4-phenyl-4H-quinazolin-3-yl]acetohydrazide
CID 3119177

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-chloro-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]acetate?
The IUPAC name of methyl 2-[6-chloro-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]acetate (CID 3717703) is methyl 2-[6-chloro-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]acetate.
What is the SMILES notation for methyl 2-[6-chloro-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]acetate?
The canonical SMILES for methyl 2-[6-chloro-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]acetate is COC(=O)CN1C(c2ccc(OC)cc2)=Nc2ccc(Cl)cc2C1c1ccccc1.
What is the InChIKey of methyl 2-[6-chloro-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]acetate?
The InChIKey is OMIWVZGQMXEZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O3/c1-29-19-11-8-17(9-12-19)24-26-21-13-10-18(25)14-20(21)23(16-6-4-3-5-7-16)27(24)15-22(28)30-2/h3-14,23H,15H2,1-2H3.
What are the key properties of methyl 2-[6-chloro-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]acetate?
methyl 2-[6-chloro-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]acetate has a molecular weight of 420.90 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-chloro-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]acetate is sourced from PubChem (CID 3717703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).