7-hydroxy-N-[4-[(7-hydroxy-2-iminochromene-3-carbonyl)amino]butyl]-2-iminochromene-3-carboxamide

C24H22N4O6 — CID 135891381

IUPAC7-hydroxy-N-[4-[(7-hydroxy-2-iminochromene-3-carbonyl)amino]butyl]-2-iminochromene-3-carboxamide
SMILES[H]/N=c1\oc2cc(O)ccc2cc1C(=O)NCCCCNC(=O)c1cc2ccc(O)cc2o/c1=N\[H]
InChIInChI=1S/C24H22N4O6/c25-21-17(9-13-3-5-15(29)11-19(13)33-21)23(31)27-7-1-2-8-28-24(32)18-10-14-4-6-16(30)12-20(14)34-22(18)26/h3-6,9-12,25-26,29-30H,1-2,7-8H2,(H,27,31)(H,28,32)/b25-21-,26-22-
InChIKeyGXAZALKJWWMVJZ-ORFRIDJFSA-N
MW462.46 g/mol
LogP2.49
Rot. Bonds7

About 7-hydroxy-N-[4-[(7-hydroxy-2-iminochromene-3-carbonyl)amino]butyl]-2-iminochromene-3-carboxamide

7-hydroxy-N-[4-[(7-hydroxy-2-iminochromene-3-carbonyl)amino]butyl]-2-iminochromene-3-carboxamide (PubChem CID 135891381) has the molecular formula C24H22N4O6 and a molecular weight of 462.46 g/mol. Its IUPAC name is 7-hydroxy-N-[4-[(7-hydroxy-2-iminochromene-3-carbonyl)amino]butyl]-2-iminochromene-3-carboxamide.

Molecular Properties

Compound Name7-hydroxy-N-[4-[(7-hydroxy-2-iminochromene-3-carbonyl)amino]butyl]-2-iminochromene-3-carboxamide
PubChem CID135891381
Molecular FormulaC24H22N4O6
Molecular Weight462.46 g/mol
Exact Mass462.15
IUPAC Name7-hydroxy-N-[4-[(7-hydroxy-2-iminochromene-3-carbonyl)amino]butyl]-2-iminochromene-3-carboxamide
SMILES[H]/N=c1\oc2cc(O)ccc2cc1C(=O)NCCCCNC(=O)c1cc2ccc(O)cc2o/c1=N\[H]
InChIInChI=1S/C24H22N4O6/c25-21-17(9-13-3-5-15(29)11-19(13)33-21)23(31)27-7-1-2-8-28-24(32)18-10-14-4-6-16(30)12-20(14)34-22(18)26/h3-6,9-12,25-26,29-30H,1-2,7-8H2,(H,27,31)(H,28,32)/b25-21-,26-22-
InChIKeyGXAZALKJWWMVJZ-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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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-N-[4-[(7-hydroxy-2-iminochromene-3-carbonyl)amino]butyl]-2-iminochromene-3-carboxamide?
The IUPAC name of 7-hydroxy-N-[4-[(7-hydroxy-2-iminochromene-3-carbonyl)amino]butyl]-2-iminochromene-3-carboxamide (CID 135891381) is 7-hydroxy-N-[4-[(7-hydroxy-2-iminochromene-3-carbonyl)amino]butyl]-2-iminochromene-3-carboxamide.
What is the SMILES notation for 7-hydroxy-N-[4-[(7-hydroxy-2-iminochromene-3-carbonyl)amino]butyl]-2-iminochromene-3-carboxamide?
The canonical SMILES for 7-hydroxy-N-[4-[(7-hydroxy-2-iminochromene-3-carbonyl)amino]butyl]-2-iminochromene-3-carboxamide is [H]/N=c1\oc2cc(O)ccc2cc1C(=O)NCCCCNC(=O)c1cc2ccc(O)cc2o/c1=N\[H].
What is the InChIKey of 7-hydroxy-N-[4-[(7-hydroxy-2-iminochromene-3-carbonyl)amino]butyl]-2-iminochromene-3-carboxamide?
The InChIKey is GXAZALKJWWMVJZ-ORFRIDJFSA-N. The full InChI is InChI=1S/C24H22N4O6/c25-21-17(9-13-3-5-15(29)11-19(13)33-21)23(31)27-7-1-2-8-28-24(32)18-10-14-4-6-16(30)12-20(14)34-22(18)26/h3-6,9-12,25-26,29-30H,1-2,7-8H2,(H,27,31)(H,28,32)/b25-21-,26-22-.
What are the key properties of 7-hydroxy-N-[4-[(7-hydroxy-2-iminochromene-3-carbonyl)amino]butyl]-2-iminochromene-3-carboxamide?
7-hydroxy-N-[4-[(7-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 7-hydroxy-N-[4-[(7-hydroxy-2-iminochromene-3-carbonyl)amino]butyl]-2-iminochromene-3-carboxamide is sourced from PubChem (CID 135891381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).