7-hydroxy-N-[6-[(7-hydroxy-2-iminochromene-3-carbonyl)amino]hexyl]-2-iminochromene-3-carboxamide

C26H26N4O6 — CID 135891416

IUPAC7-hydroxy-N-[6-[(7-hydroxy-2-iminochromene-3-carbonyl)amino]hexyl]-2-iminochromene-3-carboxamide
SMILES[H]/N=c1\oc2cc(O)ccc2cc1C(=O)NCCCCCCNC(=O)c1cc2ccc(O)cc2o/c1=N\[H]
InChIInChI=1S/C26H26N4O6/c27-23-19(11-15-5-7-17(31)13-21(15)35-23)25(33)29-9-3-1-2-4-10-30-26(34)20-12-16-6-8-18(32)14-22(16)36-24(20)28/h5-8,11-14,27-28,31-32H,1-4,9-10H2,(H,29,33)(H,30,34)/b27-23-,28-24-
InChIKeyWGQLRTMCIVQULX-JTFGNLGHSA-N
MW490.52 g/mol
LogP3.27
Rot. Bonds9

About 7-hydroxy-N-[6-[(7-hydroxy-2-iminochromene-3-carbonyl)amino]hexyl]-2-iminochromene-3-carboxamide

7-hydroxy-N-[6-[(7-hydroxy-2-iminochromene-3-carbonyl)amino]hexyl]-2-iminochromene-3-carboxamide (PubChem CID 135891416) has the molecular formula C26H26N4O6 and a molecular weight of 490.52 g/mol. Its IUPAC name is 7-hydroxy-N-[6-[(7-hydroxy-2-iminochromene-3-carbonyl)amino]hexyl]-2-iminochromene-3-carboxamide.

Molecular Properties

Compound Name7-hydroxy-N-[6-[(7-hydroxy-2-iminochromene-3-carbonyl)amino]hexyl]-2-iminochromene-3-carboxamide
PubChem CID135891416
Molecular FormulaC26H26N4O6
Molecular Weight490.52 g/mol
Exact Mass490.19
IUPAC Name7-hydroxy-N-[6-[(7-hydroxy-2-iminochromene-3-carbonyl)amino]hexyl]-2-iminochromene-3-carboxamide
SMILES[H]/N=c1\oc2cc(O)ccc2cc1C(=O)NCCCCCCNC(=O)c1cc2ccc(O)cc2o/c1=N\[H]
InChIInChI=1S/C26H26N4O6/c27-23-19(11-15-5-7-17(31)13-21(15)35-23)25(33)29-9-3-1-2-4-10-30-26(34)20-12-16-6-8-18(32)14-22(16)36-24(20)28/h5-8,11-14,27-28,31-32H,1-4,9-10H2,(H,29,33)(H,30,34)/b27-23-,28-24-
InChIKeyWGQLRTMCIVQULX-JTFGNLGHSA-N
XLogP3.27
TPSA172.64 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.52
LogP ≤ 53.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 7-hydroxy-N-[6-[(7-hydroxy-2-iminochromene-3-carbonyl)amino]hexyl]-2-iminochromene-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

7-hydroxy-N-[4-[(7-hydroxy-2-iminochromene-3-carbonyl)amino]butyl]-2-iminochromene-3-carboxamide
CID 135891381
N-(furan-2-ylmethyl)-7-hydroxy-2-iminochromene-3-carboxamide
CID 135630907
8-hydroxy-N-[4-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]butyl]-2-iminochromene-3-carboxamide
CID 46237292
7-hydroxy-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide
CID 135531975
1,7-dihydroxy-N-(4-hydroxybutyl)naphthalene-2-carboxamide
CID 167772657
N-[2-(4-hydroxyphenyl)ethyl]-2-imino-8-methoxychromene-3-carboxamide
CID 70696536
5,7-dihydroxy-N-(4-hydroxyphenyl)-2-iminochromene-3-carboxamide
CID 135409466
7-hydroxy-N-[(3S)-3-(methylamino)-4-oxopentyl]-2-oxochromene-3-carboxamide
CID 146244908
3-hydroxy-N-[6-[(3-hydroxynaphthalene-2-carbonyl)amino]hexyl]naphthalene-2-carboxamide
CID 3119117
2-imino-7-methoxy-N-(4-methylphenyl)chromene-3-carboxamide
CID 4276831
N-[4-[3-[(2,5-dihydroxybenzoyl)amino]propylamino]butyl]-2,5-dihydroxybenzamide
CID 57339218
N-(5-bromopentyl)-2-chloro-5-hydroxybenzamide
CID 107321908

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-N-[6-[(7-hydroxy-2-iminochromene-3-carbonyl)amino]hexyl]-2-iminochromene-3-carboxamide?
The IUPAC name of 7-hydroxy-N-[6-[(7-hydroxy-2-iminochromene-3-carbonyl)amino]hexyl]-2-iminochromene-3-carboxamide (CID 135891416) is 7-hydroxy-N-[6-[(7-hydroxy-2-iminochromene-3-carbonyl)amino]hexyl]-2-iminochromene-3-carboxamide.
What is the SMILES notation for 7-hydroxy-N-[6-[(7-hydroxy-2-iminochromene-3-carbonyl)amino]hexyl]-2-iminochromene-3-carboxamide?
The canonical SMILES for 7-hydroxy-N-[6-[(7-hydroxy-2-iminochromene-3-carbonyl)amino]hexyl]-2-iminochromene-3-carboxamide is [H]/N=c1\oc2cc(O)ccc2cc1C(=O)NCCCCCCNC(=O)c1cc2ccc(O)cc2o/c1=N\[H].
What is the InChIKey of 7-hydroxy-N-[6-[(7-hydroxy-2-iminochromene-3-carbonyl)amino]hexyl]-2-iminochromene-3-carboxamide?
The InChIKey is WGQLRTMCIVQULX-JTFGNLGHSA-N. The full InChI is InChI=1S/C26H26N4O6/c27-23-19(11-15-5-7-17(31)13-21(15)35-23)25(33)29-9-3-1-2-4-10-30-26(34)20-12-16-6-8-18(32)14-22(16)36-24(20)28/h5-8,11-14,27-28,31-32H,1-4,9-10H2,(H,29,33)(H,30,34)/b27-23-,28-24-.
What are the key properties of 7-hydroxy-N-[6-[(7-hydroxy-2-iminochromene-3-carbonyl)amino]hexyl]-2-iminochromene-3-carboxamide?
7-hydroxy-N-[6-[(7-hydroxy-2-iminochromene-3-carbonyl)amino]hexyl]-2-iminochromene-3-carboxamide has a molecular weight of 490.52 g/mol, XLogP of 3.27, 9 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-N-[6-[(7-hydroxy-2-iminochromene-3-carbonyl)amino]hexyl]-2-iminochromene-3-carboxamide is sourced from PubChem (CID 135891416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).