4-[(5-aminonaphthalen-1-yl)amino]benzo[h]chromen-2-one;hydrochloride

C23H17ClN2O2 — CID 57381065

IUPAC4-[(5-aminonaphthalen-1-yl)amino]benzo[h]chromen-2-one;hydrochloride
SMILESCl.Nc1cccc2c(Nc3cc(=O)oc4c3ccc3ccccc34)cccc12
InChIInChI=1S/C23H16N2O2.ClH/c24-19-9-3-8-17-16(19)7-4-10-20(17)25-21-13-22(26)27-23-15-6-2-1-5-14(15)11-12-18(21)23;/h1-13,25H,24H2;1H
InChIKeyRCGIMICFSJGRGT-UHFFFAOYSA-N
MW388.85 g/mol
LogP5.85
Rot. Bonds2

About 4-[(5-aminonaphthalen-1-yl)amino]benzo[h]chromen-2-one;hydrochloride

4-[(5-aminonaphthalen-1-yl)amino]benzo[h]chromen-2-one;hydrochloride (PubChem CID 57381065) has the molecular formula C23H17ClN2O2 and a molecular weight of 388.85 g/mol. Its IUPAC name is 4-[(5-aminonaphthalen-1-yl)amino]benzo[h]chromen-2-one;hydrochloride.

Molecular Properties

Compound Name4-[(5-aminonaphthalen-1-yl)amino]benzo[h]chromen-2-one;hydrochloride
PubChem CID57381065
Molecular FormulaC23H17ClN2O2
Molecular Weight388.85 g/mol
Exact Mass388.10
IUPAC Name4-[(5-aminonaphthalen-1-yl)amino]benzo[h]chromen-2-one;hydrochloride
SMILESCl.Nc1cccc2c(Nc3cc(=O)oc4c3ccc3ccccc34)cccc12
InChIInChI=1S/C23H16N2O2.ClH/c24-19-9-3-8-17-16(19)7-4-10-20(17)25-21-13-22(26)27-23-15-6-2-1-5-14(15)11-12-18(21)23;/h1-13,25H,24H2;1H
InChIKeyRCGIMICFSJGRGT-UHFFFAOYSA-N
XLogP5.85
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.85
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-aminonaphthalen-1-yl)amino]benzo[h]chromen-2-one;hydrochloride?
The IUPAC name of 4-[(5-aminonaphthalen-1-yl)amino]benzo[h]chromen-2-one;hydrochloride (CID 57381065) is 4-[(5-aminonaphthalen-1-yl)amino]benzo[h]chromen-2-one;hydrochloride.
What is the SMILES notation for 4-[(5-aminonaphthalen-1-yl)amino]benzo[h]chromen-2-one;hydrochloride?
The canonical SMILES for 4-[(5-aminonaphthalen-1-yl)amino]benzo[h]chromen-2-one;hydrochloride is Cl.Nc1cccc2c(Nc3cc(=O)oc4c3ccc3ccccc34)cccc12.
What is the InChIKey of 4-[(5-aminonaphthalen-1-yl)amino]benzo[h]chromen-2-one;hydrochloride?
The InChIKey is RCGIMICFSJGRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O2.ClH/c24-19-9-3-8-17-16(19)7-4-10-20(17)25-21-13-22(26)27-23-15-6-2-1-5-14(15)11-12-18(21)23;/h1-13,25H,24H2;1H.
What are the key properties of 4-[(5-aminonaphthalen-1-yl)amino]benzo[h]chromen-2-one;hydrochloride?
4-[(5-aminonaphthalen-1-yl)amino]benzo[h]chromen-2-one;hydrochloride has a molecular weight of 388.85 g/mol, XLogP of 5.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-aminonaphthalen-1-yl)amino]benzo[h]chromen-2-one;hydrochloride is sourced from PubChem (CID 57381065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).