2-methyl-3-(quinolin-8-ylamino)naphthalene-1,4-dione

C20H14N2O2 — CID 163693095

IUPAC2-methyl-3-(quinolin-8-ylamino)naphthalene-1,4-dione
SMILESCC1=C(Nc2cccc3cccnc23)C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H14N2O2/c1-12-17(20(24)15-9-3-2-8-14(15)19(12)23)22-16-10-4-6-13-7-5-11-21-18(13)16/h2-11,22H,1H3
InChIKeyJUQKAQITXOFLJB-UHFFFAOYSA-N
MW314.34 g/mol
LogP4.00
Rot. Bonds2

About 2-methyl-3-(quinolin-8-ylamino)naphthalene-1,4-dione

2-methyl-3-(quinolin-8-ylamino)naphthalene-1,4-dione (PubChem CID 163693095) has the molecular formula C20H14N2O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-methyl-3-(quinolin-8-ylamino)naphthalene-1,4-dione.

Molecular Properties

Compound Name2-methyl-3-(quinolin-8-ylamino)naphthalene-1,4-dione
PubChem CID163693095
Molecular FormulaC20H14N2O2
Molecular Weight314.34 g/mol
Exact Mass314.11
IUPAC Name2-methyl-3-(quinolin-8-ylamino)naphthalene-1,4-dione
SMILESCC1=C(Nc2cccc3cccnc23)C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H14N2O2/c1-12-17(20(24)15-9-3-2-8-14(15)19(12)23)22-16-10-4-6-13-7-5-11-21-18(13)16/h2-11,22H,1H3
InChIKeyJUQKAQITXOFLJB-UHFFFAOYSA-N
XLogP4.00
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-pyridin-2-ylquinolin-8-amine
CID 82537542
2-N-(2,6-diethylphenyl)-1-N-quinolin-8-ylbenzene-1,2-diamine
CID 132526899
N-[2-[2-(aminomethyl)phenyl]phenyl]quinolin-8-amine
CID 174947176
4-N-(2-tert-butylphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112903339
N-methoxyquinolin-8-amine
CID 143696561
N-phenylsulfanylquinolin-8-amine
CID 123285595
N-(2-hydrazinyl-6-methylpyrimidin-4-yl)quinolin-8-amine
CID 80926650
2-(quinolin-8-ylamino)benzonitrile
CID 28601412
2-hydroxy-N-quinolin-8-ylbenzenesulfonamide
CID 1380884
N-[1-(2-methylphenyl)ethyl]quinolin-8-amine
CID 43191669
6-methyl-2-N-quinolin-8-ylpyridine-2,5-diamine
CID 79021158
N-(5-bromo-6-methyl-2-pyridinyl)quinolin-8-amine
CID 114047460

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(quinolin-8-ylamino)naphthalene-1,4-dione?
The IUPAC name of 2-methyl-3-(quinolin-8-ylamino)naphthalene-1,4-dione (CID 163693095) is 2-methyl-3-(quinolin-8-ylamino)naphthalene-1,4-dione.
What is the SMILES notation for 2-methyl-3-(quinolin-8-ylamino)naphthalene-1,4-dione?
The canonical SMILES for 2-methyl-3-(quinolin-8-ylamino)naphthalene-1,4-dione is CC1=C(Nc2cccc3cccnc23)C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-methyl-3-(quinolin-8-ylamino)naphthalene-1,4-dione?
The InChIKey is JUQKAQITXOFLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2/c1-12-17(20(24)15-9-3-2-8-14(15)19(12)23)22-16-10-4-6-13-7-5-11-21-18(13)16/h2-11,22H,1H3.
What are the key properties of 2-methyl-3-(quinolin-8-ylamino)naphthalene-1,4-dione?
2-methyl-3-(quinolin-8-ylamino)naphthalene-1,4-dione has a molecular weight of 314.34 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(quinolin-8-ylamino)naphthalene-1,4-dione is sourced from PubChem (CID 163693095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).