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

C62H56N8O16P+ — CID 121468429

IUPAC2-[[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
SMILESCc1c(-c2ccc(C(=O)NCCO[P+](O)(O)OCCNC(=O)c3ccc(-c4c(C)c(C(=O)c5ccc6c(=O)n(CC(=O)OC(C)(C)C)c(=O)[nH]c6c5)n5ccccc45)cc3)cc2)c2ccccn2c1C(=O)c1ccc2c(=O)n(CC(=O)O)c(=O)[nH]c2c1
InChIInChI=1S/C62H55N8O16P/c1-34-50(46-10-6-8-26-67(46)52(34)54(74)40-20-22-42-44(30-40)65-60(80)69(58(42)78)32-48(71)72)36-12-16-38(17-13-36)56(76)63-24-28-84-87(82,83)85-29-25-64-57(77)39-18-14-37(15-19-39)51-35(2)53(68-27-9-7-11-47(51)68)55(75)41-21-23-43-45(31-41)66-61(81)70(59(43)79)33-49(73)86-62(3,4)5/h6-23,26-27,30-31,82-83H,24-25,28-29,32-33H2,1-5H3,(H4-,63,64,65,66,71,72,76,77,78,79,80,81)/p+1
InChIKeyOAIPSFMTDWXBFF-UHFFFAOYSA-O
MW1200.14 g/mol
LogP5.89
Rot. Bonds20

About 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

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 (PubChem CID 121468429) has the molecular formula C62H56N8O16P+ and a molecular weight of 1200.14 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[[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
PubChem CID121468429
Molecular FormulaC62H56N8O16P+
Molecular Weight1200.14 g/mol
Exact Mass1199.35
IUPAC Name2-[[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
SMILESCc1c(-c2ccc(C(=O)NCCO[P+](O)(O)OCCNC(=O)c3ccc(-c4c(C)c(C(=O)c5ccc6c(=O)n(CC(=O)OC(C)(C)C)c(=O)[nH]c6c5)n5ccccc45)cc3)cc2)c2ccccn2c1C(=O)c1ccc2c(=O)n(CC(=O)O)c(=O)[nH]c2c1
InChIInChI=1S/C62H55N8O16P/c1-34-50(46-10-6-8-26-67(46)52(34)54(74)40-20-22-42-44(30-40)65-60(80)69(58(42)78)32-48(71)72)36-12-16-38(17-13-36)56(76)63-24-28-84-87(82,83)85-29-25-64-57(77)39-18-14-37(15-19-39)51-35(2)53(68-27-9-7-11-47(51)68)55(75)41-21-23-43-45(31-41)66-61(81)70(59(43)79)33-49(73)86-62(3,4)5/h6-23,26-27,30-31,82-83H,24-25,28-29,32-33H2,1-5H3,(H4-,63,64,65,66,71,72,76,77,78,79,80,81)/p+1
InChIKeyOAIPSFMTDWXBFF-UHFFFAOYSA-O
XLogP5.89
TPSA333.40 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds20
Heavy Atoms87
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001200.14
LogP ≤ 55.89
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(-c2ccc(C(=O)NCCO[P+](O)(O)OCCNC(=O)c3ccc(-c4c(C)c(C(=O)c5ccc6c(=O)n(CC(=O)OC(C)(C)C)c(=O)[nH]c6c5)n5ccccc45)cc3)cc2)c2ccccn2c1C(=O)c1ccc2c(=O)n(CC(=O)O)c(=O)[nH]c2c1.
What is the InChIKey of 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?
The InChIKey is OAIPSFMTDWXBFF-UHFFFAOYSA-O. The full InChI is InChI=1S/C62H55N8O16P/c1-34-50(46-10-6-8-26-67(46)52(34)54(74)40-20-22-42-44(30-40)65-60(80)69(58(42)78)32-48(71)72)36-12-16-38(17-13-36)56(76)63-24-28-84-87(82,83)85-29-25-64-57(77)39-18-14-37(15-19-39)51-35(2)53(68-27-9-7-11-47(51)68)55(75)41-21-23-43-45(31-41)66-61(81)70(59(43)79)33-49(73)86-62(3,4)5/h6-23,26-27,30-31,82-83H,24-25,28-29,32-33H2,1-5H3,(H4-,63,64,65,66,71,72,76,77,78,79,80,81)/p+1.
What are the key properties of 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?
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 has a molecular weight of 1200.14 g/mol, XLogP of 5.89, 20 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 121468429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).