4-amino-N-(9,10-dioxoanthracen-1-yl)naphthalene-1-carboxamide

C25H16N2O3 — CID 70539193

IUPAC4-amino-N-(9,10-dioxoanthracen-1-yl)naphthalene-1-carboxamide
SMILESNc1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2ccccc12
InChIInChI=1S/C25H16N2O3/c26-20-13-12-18(14-6-1-2-7-15(14)20)25(30)27-21-11-5-10-19-22(21)24(29)17-9-4-3-8-16(17)23(19)28/h1-13H,26H2,(H,27,30)
InChIKeyDXRURMWFUVQOQP-UHFFFAOYSA-N
MW392.41 g/mol
LogP4.45
Rot. Bonds2

About 4-amino-N-(9,10-dioxoanthracen-1-yl)naphthalene-1-carboxamide

4-amino-N-(9,10-dioxoanthracen-1-yl)naphthalene-1-carboxamide (PubChem CID 70539193) has the molecular formula C25H16N2O3 and a molecular weight of 392.41 g/mol. Its IUPAC name is 4-amino-N-(9,10-dioxoanthracen-1-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(9,10-dioxoanthracen-1-yl)naphthalene-1-carboxamide
PubChem CID70539193
Molecular FormulaC25H16N2O3
Molecular Weight392.41 g/mol
Exact Mass392.12
IUPAC Name4-amino-N-(9,10-dioxoanthracen-1-yl)naphthalene-1-carboxamide
SMILESNc1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2ccccc12
InChIInChI=1S/C25H16N2O3/c26-20-13-12-18(14-6-1-2-7-15(14)20)25(30)27-21-11-5-10-19-22(21)24(29)17-9-4-3-8-16(17)23(19)28/h1-13H,26H2,(H,27,30)
InChIKeyDXRURMWFUVQOQP-UHFFFAOYSA-N
XLogP4.45
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(9,10-dioxoanthracen-1-yl)-9,10-dioxoanthracene-1-carboxamide
CID 3343697
N-(5-amino-9,10-dioxoanthracen-1-yl)-4-chloro-2-hydroxybenzamide
CID 163695918
methyl N-(9,10-dioxoanthracen-1-yl)carbamate
CID 4161864
N-(8-benzamido-9,10-dioxoanthracen-1-yl)benzamide
CID 2839734
(9,10-dioxoanthracen-1-yl)thiourea
CID 82030669
N-(5-amino-9,10-dioxoanthracen-1-yl)acetamide;N-(5-amino-9,10-dioxoanthracen-1-yl)benzamide
CID 19828301
methyl 4-[(9,10-dioxoanthracen-1-yl)carbamoyl]benzoate
CID 4138390
2-bromo-N-(9,10-dioxoanthracen-1-yl)acetamide
CID 24884684
5-bromo-N-(9,10-dioxoanthracen-1-yl)thiophene-2-carboxamide
CID 4694440
N-(9,10-dioxoanthracen-1-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 3635002
2-[[5-[2-(hydrazinecarbonyl)anilino]-9,10-dioxoanthracen-1-yl]amino]benzohydrazide
CID 70829188
1-[(5-amino-9,10-dioxoanthracen-1-yl)amino]-4-[(9,10-dioxoanthracen-1-yl)amino]anthracene-9,10-dione
CID 6165091

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(9,10-dioxoanthracen-1-yl)naphthalene-1-carboxamide?
The IUPAC name of 4-amino-N-(9,10-dioxoanthracen-1-yl)naphthalene-1-carboxamide (CID 70539193) is 4-amino-N-(9,10-dioxoanthracen-1-yl)naphthalene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(9,10-dioxoanthracen-1-yl)naphthalene-1-carboxamide?
The canonical SMILES for 4-amino-N-(9,10-dioxoanthracen-1-yl)naphthalene-1-carboxamide is Nc1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2ccccc12.
What is the InChIKey of 4-amino-N-(9,10-dioxoanthracen-1-yl)naphthalene-1-carboxamide?
The InChIKey is DXRURMWFUVQOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N2O3/c26-20-13-12-18(14-6-1-2-7-15(14)20)25(30)27-21-11-5-10-19-22(21)24(29)17-9-4-3-8-16(17)23(19)28/h1-13H,26H2,(H,27,30).
What are the key properties of 4-amino-N-(9,10-dioxoanthracen-1-yl)naphthalene-1-carboxamide?
4-amino-N-(9,10-dioxoanthracen-1-yl)naphthalene-1-carboxamide has a molecular weight of 392.41 g/mol, XLogP of 4.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(9,10-dioxoanthracen-1-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 70539193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).