methyl 2-[(4S)-7-methyl-4-phenyl-2-(2,3,4-trimethoxyphenyl)-4H-quinazolin-3-yl]acetate

C27H28N2O5 — CID 99802048

IUPACmethyl 2-[(4S)-7-methyl-4-phenyl-2-(2,3,4-trimethoxyphenyl)-4H-quinazolin-3-yl]acetate
SMILESCOC(=O)CN1C(c2ccc(OC)c(OC)c2OC)=Nc2cc(C)ccc2[C@@H]1c1ccccc1
InChIInChI=1S/C27H28N2O5/c1-17-11-12-19-21(15-17)28-27(20-13-14-22(31-2)26(34-5)25(20)33-4)29(16-23(30)32-3)24(19)18-9-7-6-8-10-18/h6-15,24H,16H2,1-5H3/t24-/m0/s1
InChIKeyQUBIGJMZUKVUTF-DEOSSOPVSA-N
MW460.53 g/mol
LogP4.68
Rot. Bonds7

About methyl 2-[(4S)-7-methyl-4-phenyl-2-(2,3,4-trimethoxyphenyl)-4H-quinazolin-3-yl]acetate

methyl 2-[(4S)-7-methyl-4-phenyl-2-(2,3,4-trimethoxyphenyl)-4H-quinazolin-3-yl]acetate (PubChem CID 99802048) has the molecular formula C27H28N2O5 and a molecular weight of 460.53 g/mol. Its IUPAC name is methyl 2-[(4S)-7-methyl-4-phenyl-2-(2,3,4-trimethoxyphenyl)-4H-quinazolin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(4S)-7-methyl-4-phenyl-2-(2,3,4-trimethoxyphenyl)-4H-quinazolin-3-yl]acetate
PubChem CID99802048
Molecular FormulaC27H28N2O5
Molecular Weight460.53 g/mol
Exact Mass460.20
IUPAC Namemethyl 2-[(4S)-7-methyl-4-phenyl-2-(2,3,4-trimethoxyphenyl)-4H-quinazolin-3-yl]acetate
SMILESCOC(=O)CN1C(c2ccc(OC)c(OC)c2OC)=Nc2cc(C)ccc2[C@@H]1c1ccccc1
InChIInChI=1S/C27H28N2O5/c1-17-11-12-19-21(15-17)28-27(20-13-14-22(31-2)26(34-5)25(20)33-4)29(16-23(30)32-3)24(19)18-9-7-6-8-10-18/h6-15,24H,16H2,1-5H3/t24-/m0/s1
InChIKeyQUBIGJMZUKVUTF-DEOSSOPVSA-N
XLogP4.68
TPSA69.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(4S)-7-methyl-4-phenyl-2-(2,3,4-trimethoxyphenyl)-4H-quinazolin-3-yl]acetate with MolForge

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Related Compounds

methyl 2-[(4S)-6-bromo-4-phenyl-2-(3,4,5-trimethoxyphenyl)-4H-quinazolin-3-yl]acetate
CID 2135935
methyl 2-[(4R)-2-methyl-4-(4-methylphenyl)-4H-quinazolin-3-yl]acetate
CID 95789541
methyl 2-[6-chloro-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]acetate
CID 3717703
2-[2-(4-methoxyphenyl)-6-methyl-4-phenyl-4H-quinazolin-3-yl]acetohydrazide
CID 3137629
ethyl 2-[(4S)-6-bromo-2-(3-bromophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate
CID 99796160
methyl 2-[6-bromo-4-(3-chlorophenyl)-2-methyl-4H-quinazolin-3-yl]acetate
CID 86807867
ethyl 2-[6-bromo-2-(3-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate
CID 2870249
methyl 3-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]propanoate
CID 178090791
3-[6-bromo-2-(4-methoxy-3-methylphenyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol
CID 178090766
2-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]-N-phenylacetamide
CID 178090840
1-[5-(2-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 102563944
(1R)-6,7-dimethoxy-N-(3-methylphenyl)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 27868961

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4S)-7-methyl-4-phenyl-2-(2,3,4-trimethoxyphenyl)-4H-quinazolin-3-yl]acetate?
The IUPAC name of methyl 2-[(4S)-7-methyl-4-phenyl-2-(2,3,4-trimethoxyphenyl)-4H-quinazolin-3-yl]acetate (CID 99802048) is methyl 2-[(4S)-7-methyl-4-phenyl-2-(2,3,4-trimethoxyphenyl)-4H-quinazolin-3-yl]acetate.
What is the SMILES notation for methyl 2-[(4S)-7-methyl-4-phenyl-2-(2,3,4-trimethoxyphenyl)-4H-quinazolin-3-yl]acetate?
The canonical SMILES for methyl 2-[(4S)-7-methyl-4-phenyl-2-(2,3,4-trimethoxyphenyl)-4H-quinazolin-3-yl]acetate is COC(=O)CN1C(c2ccc(OC)c(OC)c2OC)=Nc2cc(C)ccc2[C@@H]1c1ccccc1.
What is the InChIKey of methyl 2-[(4S)-7-methyl-4-phenyl-2-(2,3,4-trimethoxyphenyl)-4H-quinazolin-3-yl]acetate?
The InChIKey is QUBIGJMZUKVUTF-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H28N2O5/c1-17-11-12-19-21(15-17)28-27(20-13-14-22(31-2)26(34-5)25(20)33-4)29(16-23(30)32-3)24(19)18-9-7-6-8-10-18/h6-15,24H,16H2,1-5H3/t24-/m0/s1.
What are the key properties of methyl 2-[(4S)-7-methyl-4-phenyl-2-(2,3,4-trimethoxyphenyl)-4H-quinazolin-3-yl]acetate?
methyl 2-[(4S)-7-methyl-4-phenyl-2-(2,3,4-trimethoxyphenyl)-4H-quinazolin-3-yl]acetate has a molecular weight of 460.53 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4S)-7-methyl-4-phenyl-2-(2,3,4-trimethoxyphenyl)-4H-quinazolin-3-yl]acetate is sourced from PubChem (CID 99802048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).