[[3-(2,4-dimethoxyphenyl)-1-methyl-2-oxo-9H-pyrido[2,3-b]indole-6-carbonyl]amino]carbamic acid

C22H20N4O6 — CID 68699461

IUPAC[[3-(2,4-dimethoxyphenyl)-1-methyl-2-oxo-9H-pyrido[2,3-b]indole-6-carbonyl]amino]carbamic acid
SMILESCOc1ccc(-c2cc3c4cc(C(=O)NNC(=O)O)ccc4[nH]c3n(C)c2=O)c(OC)c1
InChIInChI=1S/C22H20N4O6/c1-26-19-15(10-16(21(26)28)13-6-5-12(31-2)9-18(13)32-3)14-8-11(4-7-17(14)23-19)20(27)24-25-22(29)30/h4-10,23,25H,1-3H3,(H,24,27)(H,29,30)
InChIKeyAKKVDVDPIFQMGE-UHFFFAOYSA-N
MW436.42 g/mol
LogP2.62
Rot. Bonds4

About [[3-(2,4-dimethoxyphenyl)-1-methyl-2-oxo-9H-pyrido[2,3-b]indole-6-carbonyl]amino]carbamic acid

[[3-(2,4-dimethoxyphenyl)-1-methyl-2-oxo-9H-pyrido[2,3-b]indole-6-carbonyl]amino]carbamic acid (PubChem CID 68699461) has the molecular formula C22H20N4O6 and a molecular weight of 436.42 g/mol. Its IUPAC name is [[3-(2,4-dimethoxyphenyl)-1-methyl-2-oxo-9H-pyrido[2,3-b]indole-6-carbonyl]amino]carbamic acid.

Molecular Properties

Compound Name[[3-(2,4-dimethoxyphenyl)-1-methyl-2-oxo-9H-pyrido[2,3-b]indole-6-carbonyl]amino]carbamic acid
PubChem CID68699461
Molecular FormulaC22H20N4O6
Molecular Weight436.42 g/mol
Exact Mass436.14
IUPAC Name[[3-(2,4-dimethoxyphenyl)-1-methyl-2-oxo-9H-pyrido[2,3-b]indole-6-carbonyl]amino]carbamic acid
SMILESCOc1ccc(-c2cc3c4cc(C(=O)NNC(=O)O)ccc4[nH]c3n(C)c2=O)c(OC)c1
InChIInChI=1S/C22H20N4O6/c1-26-19-15(10-16(21(26)28)13-6-5-12(31-2)9-18(13)32-3)14-8-11(4-7-17(14)23-19)20(27)24-25-22(29)30/h4-10,23,25H,1-3H3,(H,24,27)(H,29,30)
InChIKeyAKKVDVDPIFQMGE-UHFFFAOYSA-N
XLogP2.62
TPSA134.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 52.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [[3-(2,4-dimethoxyphenyl)-1-methyl-2-oxo-9H-pyrido[2,3-b]indole-6-carbonyl]amino]carbamic acid with MolForge

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Related Compounds

ethyl 3-(2,4-dimethoxyphenyl)-1,9-dimethyl-2-oxopyrido[2,3-b]indole-6-carboxylate
CID 68697200
N-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 27252931
N'-(4-chloro-2-methoxybenzoyl)-2,3-dimethyl-1H-indole-5-carbohydrazide
CID 31955470
4-(2,4-dimethoxyphenyl)-3-methylbenzoic acid
CID 53227204
N-(2,5-dimethoxyphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 40567340
2-[2-(2,4-dimethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 5132997
2-[2-(2-carboxy-5-methoxy-1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 1427313
N'-(4-tert-butylbenzoyl)-2,4-dimethoxybenzohydrazide
CID 7980035
N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 25497365
2-[5-bromo-2-(2,4-dimethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 3257517
3-(carboxymethyl)-2-(2,5-dimethoxyphenyl)-1H-indole-5-carboxylic acid
CID 4233238
4-(2,4-dimethoxyphenyl)-3-fluorobenzoic acid
CID 53211675

Frequently Asked Questions

What is the IUPAC name of [[3-(2,4-dimethoxyphenyl)-1-methyl-2-oxo-9H-pyrido[2,3-b]indole-6-carbonyl]amino]carbamic acid?
The IUPAC name of [[3-(2,4-dimethoxyphenyl)-1-methyl-2-oxo-9H-pyrido[2,3-b]indole-6-carbonyl]amino]carbamic acid (CID 68699461) is [[3-(2,4-dimethoxyphenyl)-1-methyl-2-oxo-9H-pyrido[2,3-b]indole-6-carbonyl]amino]carbamic acid.
What is the SMILES notation for [[3-(2,4-dimethoxyphenyl)-1-methyl-2-oxo-9H-pyrido[2,3-b]indole-6-carbonyl]amino]carbamic acid?
The canonical SMILES for [[3-(2,4-dimethoxyphenyl)-1-methyl-2-oxo-9H-pyrido[2,3-b]indole-6-carbonyl]amino]carbamic acid is COc1ccc(-c2cc3c4cc(C(=O)NNC(=O)O)ccc4[nH]c3n(C)c2=O)c(OC)c1.
What is the InChIKey of [[3-(2,4-dimethoxyphenyl)-1-methyl-2-oxo-9H-pyrido[2,3-b]indole-6-carbonyl]amino]carbamic acid?
The InChIKey is AKKVDVDPIFQMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O6/c1-26-19-15(10-16(21(26)28)13-6-5-12(31-2)9-18(13)32-3)14-8-11(4-7-17(14)23-19)20(27)24-25-22(29)30/h4-10,23,25H,1-3H3,(H,24,27)(H,29,30).
What are the key properties of [[3-(2,4-dimethoxyphenyl)-1-methyl-2-oxo-9H-pyrido[2,3-b]indole-6-carbonyl]amino]carbamic acid?
[[3-(2,4-dimethoxyphenyl)-1-methyl-2-oxo-9H-pyrido[2,3-b]indole-6-carbonyl]amino]carbamic acid has a molecular weight of 436.42 g/mol, XLogP of 2.62, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-(2,4-dimethoxyphenyl)-1-methyl-2-oxo-9H-pyrido[2,3-b]indole-6-carbonyl]amino]carbamic acid is sourced from PubChem (CID 68699461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).