8-hydroxy-N-[4-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]butyl]-2-iminochromene-3-carboxamide

C24H22N4O6 — CID 46237292

IUPAC8-hydroxy-N-[4-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]butyl]-2-iminochromene-3-carboxamide
SMILES[H]/N=c1\oc2c(O)cccc2cc1C(=O)NCCCCNC(=O)c1cc2cccc(O)c2o/c1=N\[H]
InChIInChI=1S/C24H22N4O6/c25-21-15(11-13-5-3-7-17(29)19(13)33-21)23(31)27-9-1-2-10-28-24(32)16-12-14-6-4-8-18(30)20(14)34-22(16)26/h3-8,11-12,25-26,29-30H,1-2,9-10H2,(H,27,31)(H,28,32)/b25-21-,26-22-
InChIKeyWRMBWFJLZHVSDP-ORFRIDJFSA-N
MW462.46 g/mol
LogP2.49
Rot. Bonds7

About 8-hydroxy-N-[4-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]butyl]-2-iminochromene-3-carboxamide

8-hydroxy-N-[4-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]butyl]-2-iminochromene-3-carboxamide (PubChem CID 46237292) has the molecular formula C24H22N4O6 and a molecular weight of 462.46 g/mol. Its IUPAC name is 8-hydroxy-N-[4-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]butyl]-2-iminochromene-3-carboxamide.

Molecular Properties

Compound Name8-hydroxy-N-[4-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]butyl]-2-iminochromene-3-carboxamide
PubChem CID46237292
Molecular FormulaC24H22N4O6
Molecular Weight462.46 g/mol
Exact Mass462.15
IUPAC Name8-hydroxy-N-[4-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]butyl]-2-iminochromene-3-carboxamide
SMILES[H]/N=c1\oc2c(O)cccc2cc1C(=O)NCCCCNC(=O)c1cc2cccc(O)c2o/c1=N\[H]
InChIInChI=1S/C24H22N4O6/c25-21-15(11-13-5-3-7-17(29)19(13)33-21)23(31)27-9-1-2-10-28-24(32)16-12-14-6-4-8-18(30)20(14)34-22(16)26/h3-8,11-12,25-26,29-30H,1-2,9-10H2,(H,27,31)(H,28,32)/b25-21-,26-22-
InChIKeyWRMBWFJLZHVSDP-ORFRIDJFSA-N
XLogP2.49
TPSA172.64 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.46
LogP ≤ 52.49
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-8-hydroxy-2-iminochromene-3-carboxamide
CID 19574143
7-hydroxy-N-[4-[(7-hydroxy-2-iminochromene-3-carbonyl)amino]butyl]-2-iminochromene-3-carboxamide
CID 135891381
7-hydroxy-N-[6-[(7-hydroxy-2-iminochromene-3-carbonyl)amino]hexyl]-2-iminochromene-3-carboxamide
CID 135891416
8-hydroxy-N-(3-hydroxyphenyl)-2-iminochromene-3-carboxamide
CID 10402283
8-hydroxy-2-imino-N-(2,4,6-trimethylphenyl)chromene-3-carboxamide
CID 19288997
N-[2-(4-hydroxyphenyl)ethyl]-2-imino-8-methoxychromene-3-carboxamide
CID 70696536
N-(3,4-difluorophenyl)-8-hydroxy-2-iminochromene-3-carboxamide
CID 152560062
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-8-methoxychromene-3-carboxamide
CID 17379757
8-hydroxy-2-imino-N-(3-methoxyphenyl)chromene-3-carboxamide
CID 19573969
methyl 5-ethyl-2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]thiophene-3-carboxylate
CID 19572236
3-hydroxy-N-[6-[(3-hydroxynaphthalene-2-carbonyl)amino]hexyl]naphthalene-2-carboxamide
CID 3119117
methyl 5-(dimethylcarbamoyl)-2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]-4-methylthiophene-3-carboxylate
CID 17281910

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-N-[4-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]butyl]-2-iminochromene-3-carboxamide?
The IUPAC name of 8-hydroxy-N-[4-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]butyl]-2-iminochromene-3-carboxamide (CID 46237292) is 8-hydroxy-N-[4-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]butyl]-2-iminochromene-3-carboxamide.
What is the SMILES notation for 8-hydroxy-N-[4-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]butyl]-2-iminochromene-3-carboxamide?
The canonical SMILES for 8-hydroxy-N-[4-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]butyl]-2-iminochromene-3-carboxamide is [H]/N=c1\oc2c(O)cccc2cc1C(=O)NCCCCNC(=O)c1cc2cccc(O)c2o/c1=N\[H].
What is the InChIKey of 8-hydroxy-N-[4-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]butyl]-2-iminochromene-3-carboxamide?
The InChIKey is WRMBWFJLZHVSDP-ORFRIDJFSA-N. The full InChI is InChI=1S/C24H22N4O6/c25-21-15(11-13-5-3-7-17(29)19(13)33-21)23(31)27-9-1-2-10-28-24(32)16-12-14-6-4-8-18(30)20(14)34-22(16)26/h3-8,11-12,25-26,29-30H,1-2,9-10H2,(H,27,31)(H,28,32)/b25-21-,26-22-.
What are the key properties of 8-hydroxy-N-[4-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]butyl]-2-iminochromene-3-carboxamide?
8-hydroxy-N-[4-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]butyl]-2-iminochromene-3-carboxamide has a molecular weight of 462.46 g/mol, XLogP of 2.49, 7 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-N-[4-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]butyl]-2-iminochromene-3-carboxamide is sourced from PubChem (CID 46237292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).