N-[2-hydroxy-3-(3-nitroso-1H-indol-2-yl)-1H-indol-5-yl]naphthalene-1-carboxamide

C27H18N4O3 — CID 137210057

IUPACN-[2-hydroxy-3-(3-nitroso-1H-indol-2-yl)-1H-indol-5-yl]naphthalene-1-carboxamide
SMILESO=Nc1c(-c2c(O)[nH]c3ccc(NC(=O)c4cccc5ccccc45)cc23)[nH]c2ccccc12
InChIInChI=1S/C27H18N4O3/c32-26(18-10-5-7-15-6-1-2-8-17(15)18)28-16-12-13-22-20(14-16)23(27(33)30-22)25-24(31-34)19-9-3-4-11-21(19)29-25/h1-14,29-30,33H,(H,28,32)
InChIKeyPUBHGSFSUSETLR-UHFFFAOYSA-N
MW446.47 g/mol
LogP6.83
Rot. Bonds4

About N-[2-hydroxy-3-(3-nitroso-1H-indol-2-yl)-1H-indol-5-yl]naphthalene-1-carboxamide

N-[2-hydroxy-3-(3-nitroso-1H-indol-2-yl)-1H-indol-5-yl]naphthalene-1-carboxamide (PubChem CID 137210057) has the molecular formula C27H18N4O3 and a molecular weight of 446.47 g/mol. Its IUPAC name is N-[2-hydroxy-3-(3-nitroso-1H-indol-2-yl)-1H-indol-5-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(3-nitroso-1H-indol-2-yl)-1H-indol-5-yl]naphthalene-1-carboxamide
PubChem CID137210057
Molecular FormulaC27H18N4O3
Molecular Weight446.47 g/mol
Exact Mass446.14
IUPAC NameN-[2-hydroxy-3-(3-nitroso-1H-indol-2-yl)-1H-indol-5-yl]naphthalene-1-carboxamide
SMILESO=Nc1c(-c2c(O)[nH]c3ccc(NC(=O)c4cccc5ccccc45)cc23)[nH]c2ccccc12
InChIInChI=1S/C27H18N4O3/c32-26(18-10-5-7-15-6-1-2-8-17(15)18)28-16-12-13-22-20(14-16)23(27(33)30-22)25-24(31-34)19-9-3-4-11-21(19)29-25/h1-14,29-30,33H,(H,28,32)
InChIKeyPUBHGSFSUSETLR-UHFFFAOYSA-N
XLogP6.83
TPSA110.34 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.47
LogP ≤ 56.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(3-nitroso-1H-indol-2-yl)-1H-indol-5-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-hydroxy-3-(3-nitroso-1H-indol-2-yl)-1H-indol-5-yl]naphthalene-1-carboxamide (CID 137210057) is N-[2-hydroxy-3-(3-nitroso-1H-indol-2-yl)-1H-indol-5-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-hydroxy-3-(3-nitroso-1H-indol-2-yl)-1H-indol-5-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-hydroxy-3-(3-nitroso-1H-indol-2-yl)-1H-indol-5-yl]naphthalene-1-carboxamide is O=Nc1c(-c2c(O)[nH]c3ccc(NC(=O)c4cccc5ccccc45)cc23)[nH]c2ccccc12.
What is the InChIKey of N-[2-hydroxy-3-(3-nitroso-1H-indol-2-yl)-1H-indol-5-yl]naphthalene-1-carboxamide?
The InChIKey is PUBHGSFSUSETLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N4O3/c32-26(18-10-5-7-15-6-1-2-8-17(15)18)28-16-12-13-22-20(14-16)23(27(33)30-22)25-24(31-34)19-9-3-4-11-21(19)29-25/h1-14,29-30,33H,(H,28,32).
What are the key properties of N-[2-hydroxy-3-(3-nitroso-1H-indol-2-yl)-1H-indol-5-yl]naphthalene-1-carboxamide?
N-[2-hydroxy-3-(3-nitroso-1H-indol-2-yl)-1H-indol-5-yl]naphthalene-1-carboxamide has a molecular weight of 446.47 g/mol, XLogP of 6.83, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(3-nitroso-1H-indol-2-yl)-1H-indol-5-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 137210057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).