methyl 2-[[2-(2-methoxyanilino)pyridine-3-carbonyl]oxymethyl]-4-oxo-3H-quinazoline-7-carboxylate

C24H20N4O6 — CID 135776005

IUPACmethyl 2-[[2-(2-methoxyanilino)pyridine-3-carbonyl]oxymethyl]-4-oxo-3H-quinazoline-7-carboxylate
SMILESCOC(=O)c1ccc2c(=O)[nH]c(COC(=O)c3cccnc3Nc3ccccc3OC)nc2c1
InChIInChI=1S/C24H20N4O6/c1-32-19-8-4-3-7-17(19)27-21-16(6-5-11-25-21)24(31)34-13-20-26-18-12-14(23(30)33-2)9-10-15(18)22(29)28-20/h3-12H,13H2,1-2H3,(H,25,27)(H,26,28,29)
InChIKeyVGGIOPQUBTYUBJ-UHFFFAOYSA-N
MW460.45 g/mol
LogP3.21
Rot. Bonds7

About methyl 2-[[2-(2-methoxyanilino)pyridine-3-carbonyl]oxymethyl]-4-oxo-3H-quinazoline-7-carboxylate

methyl 2-[[2-(2-methoxyanilino)pyridine-3-carbonyl]oxymethyl]-4-oxo-3H-quinazoline-7-carboxylate (PubChem CID 135776005) has the molecular formula C24H20N4O6 and a molecular weight of 460.45 g/mol. Its IUPAC name is methyl 2-[[2-(2-methoxyanilino)pyridine-3-carbonyl]oxymethyl]-4-oxo-3H-quinazoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-(2-methoxyanilino)pyridine-3-carbonyl]oxymethyl]-4-oxo-3H-quinazoline-7-carboxylate
PubChem CID135776005
Molecular FormulaC24H20N4O6
Molecular Weight460.45 g/mol
Exact Mass460.14
IUPAC Namemethyl 2-[[2-(2-methoxyanilino)pyridine-3-carbonyl]oxymethyl]-4-oxo-3H-quinazoline-7-carboxylate
SMILESCOC(=O)c1ccc2c(=O)[nH]c(COC(=O)c3cccnc3Nc3ccccc3OC)nc2c1
InChIInChI=1S/C24H20N4O6/c1-32-19-8-4-3-7-17(19)27-21-16(6-5-11-25-21)24(31)34-13-20-26-18-12-14(23(30)33-2)9-10-15(18)22(29)28-20/h3-12H,13H2,1-2H3,(H,25,27)(H,26,28,29)
InChIKeyVGGIOPQUBTYUBJ-UHFFFAOYSA-N
XLogP3.21
TPSA132.50 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.45
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze methyl 2-[[2-(2-methoxyanilino)pyridine-3-carbonyl]oxymethyl]-4-oxo-3H-quinazoline-7-carboxylate with MolForge

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Related Compounds

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CID 25073775
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2-fluoro-9-oxo-N-(2-{2H,3H,4H-pyrido[3,2-b][1,4]oxazin-7-yl}propan-2-yl)-9,10-dihydroacridine-3-carboxamide
CID 16748528
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CID 11639129
N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-methylanilino)pyridine-3-carboxamide
CID 44586123
N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-(2-methylanilino)pyridine-3-carboxamide
CID 44586176
N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(2-methylanilino)pyridine-3-carboxamide
CID 44586177
2-[(4-methoxybenzoyl)amino]-N-(2-pyridinyl)benzamide
CID 759561
Methyl 4-[[3-[(5-carbamoyl-3-pyridinyl)oxymethyl]phenyl]carbamoyl]benzoate
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N-Cyclohexyl-6-(2-methoxy-phenylamino)-nicotinamide
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2-[(4-methoxybenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2-methoxyanilino)pyridine-3-carbonyl]oxymethyl]-4-oxo-3H-quinazoline-7-carboxylate?
The IUPAC name of methyl 2-[[2-(2-methoxyanilino)pyridine-3-carbonyl]oxymethyl]-4-oxo-3H-quinazoline-7-carboxylate (CID 135776005) is methyl 2-[[2-(2-methoxyanilino)pyridine-3-carbonyl]oxymethyl]-4-oxo-3H-quinazoline-7-carboxylate.
What is the SMILES notation for methyl 2-[[2-(2-methoxyanilino)pyridine-3-carbonyl]oxymethyl]-4-oxo-3H-quinazoline-7-carboxylate?
The canonical SMILES for methyl 2-[[2-(2-methoxyanilino)pyridine-3-carbonyl]oxymethyl]-4-oxo-3H-quinazoline-7-carboxylate is COC(=O)c1ccc2c(=O)[nH]c(COC(=O)c3cccnc3Nc3ccccc3OC)nc2c1.
What is the InChIKey of methyl 2-[[2-(2-methoxyanilino)pyridine-3-carbonyl]oxymethyl]-4-oxo-3H-quinazoline-7-carboxylate?
The InChIKey is VGGIOPQUBTYUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O6/c1-32-19-8-4-3-7-17(19)27-21-16(6-5-11-25-21)24(31)34-13-20-26-18-12-14(23(30)33-2)9-10-15(18)22(29)28-20/h3-12H,13H2,1-2H3,(H,25,27)(H,26,28,29).
What are the key properties of methyl 2-[[2-(2-methoxyanilino)pyridine-3-carbonyl]oxymethyl]-4-oxo-3H-quinazoline-7-carboxylate?
methyl 2-[[2-(2-methoxyanilino)pyridine-3-carbonyl]oxymethyl]-4-oxo-3H-quinazoline-7-carboxylate has a molecular weight of 460.45 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2-methoxyanilino)pyridine-3-carbonyl]oxymethyl]-4-oxo-3H-quinazoline-7-carboxylate is sourced from PubChem (CID 135776005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).