methyl 2-[6-[2-methyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]indolizine-3-carbonyl]-2,4-dioxo-1H-quinazolin-3-yl]acetate

C33H31N3O8 — CID 131734304

IUPACmethyl 2-[6-[2-methyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]indolizine-3-carbonyl]-2,4-dioxo-1H-quinazolin-3-yl]acetate
SMILESCOC(=O)Cn1c(=O)[nH]c2ccc(C(=O)c3c(C)c(-c4ccc(OCC(=O)OC(C)(C)C)cc4)c4ccccn34)cc2c1=O
InChIInChI=1S/C33H31N3O8/c1-19-28(20-9-12-22(13-10-20)43-18-27(38)44-33(2,3)4)25-8-6-7-15-35(25)29(19)30(39)21-11-14-24-23(16-21)31(40)36(32(41)34-24)17-26(37)42-5/h6-16H,17-18H2,1-5H3,(H,34,41)
InChIKeyGGLIKIGTDXNFGG-UHFFFAOYSA-N
MW597.62 g/mol
LogP4.04
Rot. Bonds8

About methyl 2-[6-[2-methyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]indolizine-3-carbonyl]-2,4-dioxo-1H-quinazolin-3-yl]acetate

methyl 2-[6-[2-methyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]indolizine-3-carbonyl]-2,4-dioxo-1H-quinazolin-3-yl]acetate (PubChem CID 131734304) has the molecular formula C33H31N3O8 and a molecular weight of 597.62 g/mol. Its IUPAC name is methyl 2-[6-[2-methyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]indolizine-3-carbonyl]-2,4-dioxo-1H-quinazolin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-[2-methyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]indolizine-3-carbonyl]-2,4-dioxo-1H-quinazolin-3-yl]acetate
PubChem CID131734304
Molecular FormulaC33H31N3O8
Molecular Weight597.62 g/mol
Exact Mass597.21
IUPAC Namemethyl 2-[6-[2-methyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]indolizine-3-carbonyl]-2,4-dioxo-1H-quinazolin-3-yl]acetate
SMILESCOC(=O)Cn1c(=O)[nH]c2ccc(C(=O)c3c(C)c(-c4ccc(OCC(=O)OC(C)(C)C)cc4)c4ccccn34)cc2c1=O
InChIInChI=1S/C33H31N3O8/c1-19-28(20-9-12-22(13-10-20)43-18-27(38)44-33(2,3)4)25-8-6-7-15-35(25)29(19)30(39)21-11-14-24-23(16-21)31(40)36(32(41)34-24)17-26(37)42-5/h6-16H,17-18H2,1-5H3,(H,34,41)
InChIKeyGGLIKIGTDXNFGG-UHFFFAOYSA-N
XLogP4.04
TPSA138.17 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500597.62
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze methyl 2-[6-[2-methyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]indolizine-3-carbonyl]-2,4-dioxo-1H-quinazolin-3-yl]acetate with MolForge

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Launch Full Analysis

Related Compounds

2-[[4-[3-[3-(carboxymethyl)-2,4-dioxo-1H-quinazoline-7-carbonyl]-2-methylindolizin-1-yl]benzoyl]amino]ethoxy-dihydroxy-[2-[[4-[2-methyl-3-[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,4-dioxo-1H-quinazoline-7-carbonyl]indolizin-1-yl]benzoyl]amino]ethoxy]phosphanium
CID 121468429
2-[7-[1-[3-[2-[2-[2-[2-[3-[3-[3-(carboxymethyl)-2,4-dioxo-1H-quinazoline-7-carbonyl]-2-methylindolizin-1-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-2-methylindolizine-3-carbonyl]-2,4-dioxo-1H-quinazolin-3-yl]acetic acid
CID 71622023
6-[1-(2-methoxyethoxy)-2-methylindolizine-3-carbonyl]-3-propyl-1H-quinazoline-2,4-dione;methyl 2-amino-5-(1-hydroxy-2-methylindolizine-3-carbonyl)benzoate
CID 159888081
2-amino-5-[1-[4-[2-[2-[2-[2-[4-[3-(4-amino-3-carboxybenzoyl)-2-methylindolizin-1-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-2-methylindolizine-3-carbonyl]benzoic acid
CID 87261268
methyl 2-(2,4-dioxo-1H-pyrido[4,3-d]pyrimidin-3-yl)acetate
CID 176610283
tert-butyl 2-[4-[(E)-3-[2-(4-methylbenzoyl)pyrrol-1-yl]but-1-enyl]phenoxy]acetate
CID 140514201
6-(1-methoxy-2-methylindolizine-3-carbonyl)-1-methylquinolin-4-one
CID 141434341
tert-butyl 2-(9-octylcarbazol-2-yl)oxyacetate
CID 56659253
bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-phenylsulfanium
CID 18945723
ethyl 4-[3-(2,4-dichloropyridine-3-carbonyl)-2-methylindolizin-1-yl]benzoate
CID 121472936
methyl 2-amino-5-[1-(2-methoxyethoxy)-2-methylindolizine-3-carbonyl]benzoate
CID 66653176
(2-methoxyphenyl) 2-(2,4-dioxo-1H-quinazolin-3-yl)acetate
CID 51114624

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-[2-methyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]indolizine-3-carbonyl]-2,4-dioxo-1H-quinazolin-3-yl]acetate?
The IUPAC name of methyl 2-[6-[2-methyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]indolizine-3-carbonyl]-2,4-dioxo-1H-quinazolin-3-yl]acetate (CID 131734304) is methyl 2-[6-[2-methyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]indolizine-3-carbonyl]-2,4-dioxo-1H-quinazolin-3-yl]acetate.
What is the SMILES notation for methyl 2-[6-[2-methyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]indolizine-3-carbonyl]-2,4-dioxo-1H-quinazolin-3-yl]acetate?
The canonical SMILES for methyl 2-[6-[2-methyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]indolizine-3-carbonyl]-2,4-dioxo-1H-quinazolin-3-yl]acetate is COC(=O)Cn1c(=O)[nH]c2ccc(C(=O)c3c(C)c(-c4ccc(OCC(=O)OC(C)(C)C)cc4)c4ccccn34)cc2c1=O.
What is the InChIKey of methyl 2-[6-[2-methyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]indolizine-3-carbonyl]-2,4-dioxo-1H-quinazolin-3-yl]acetate?
The InChIKey is GGLIKIGTDXNFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31N3O8/c1-19-28(20-9-12-22(13-10-20)43-18-27(38)44-33(2,3)4)25-8-6-7-15-35(25)29(19)30(39)21-11-14-24-23(16-21)31(40)36(32(41)34-24)17-26(37)42-5/h6-16H,17-18H2,1-5H3,(H,34,41).
What are the key properties of methyl 2-[6-[2-methyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]indolizine-3-carbonyl]-2,4-dioxo-1H-quinazolin-3-yl]acetate?
methyl 2-[6-[2-methyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]indolizine-3-carbonyl]-2,4-dioxo-1H-quinazolin-3-yl]acetate has a molecular weight of 597.62 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-[2-methyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]indolizine-3-carbonyl]-2,4-dioxo-1H-quinazolin-3-yl]acetate is sourced from PubChem (CID 131734304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).