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

C23H16N2O2 — CID 57381066

IUPAC4-[(5-aminonaphthalen-1-yl)amino]benzo[h]chromen-2-one
SMILESNc1cccc2c(Nc3cc(=O)oc4c3ccc3ccccc34)cccc12
InChIInChI=1S/C23H16N2O2/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
InChIKeyIVWXBKFOTPWYCG-UHFFFAOYSA-N
MW352.39 g/mol
LogP5.43
Rot. Bonds2

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

4-[(5-aminonaphthalen-1-yl)amino]benzo[h]chromen-2-one (PubChem CID 57381066) has the molecular formula C23H16N2O2 and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-[(5-aminonaphthalen-1-yl)amino]benzo[h]chromen-2-one.

Molecular Properties

Compound Name4-[(5-aminonaphthalen-1-yl)amino]benzo[h]chromen-2-one
PubChem CID57381066
Molecular FormulaC23H16N2O2
Molecular Weight352.39 g/mol
Exact Mass352.12
IUPAC Name4-[(5-aminonaphthalen-1-yl)amino]benzo[h]chromen-2-one
SMILESNc1cccc2c(Nc3cc(=O)oc4c3ccc3ccccc34)cccc12
InChIInChI=1S/C23H16N2O2/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
InChIKeyIVWXBKFOTPWYCG-UHFFFAOYSA-N
XLogP5.43
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.39
LogP ≤ 55.43
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?
The IUPAC name of 4-[(5-aminonaphthalen-1-yl)amino]benzo[h]chromen-2-one (CID 57381066) is 4-[(5-aminonaphthalen-1-yl)amino]benzo[h]chromen-2-one.
What is the SMILES notation for 4-[(5-aminonaphthalen-1-yl)amino]benzo[h]chromen-2-one?
The canonical SMILES for 4-[(5-aminonaphthalen-1-yl)amino]benzo[h]chromen-2-one is Nc1cccc2c(Nc3cc(=O)oc4c3ccc3ccccc34)cccc12.
What is the InChIKey of 4-[(5-aminonaphthalen-1-yl)amino]benzo[h]chromen-2-one?
The InChIKey is IVWXBKFOTPWYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O2/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.
What are the key properties of 4-[(5-aminonaphthalen-1-yl)amino]benzo[h]chromen-2-one?
4-[(5-aminonaphthalen-1-yl)amino]benzo[h]chromen-2-one has a molecular weight of 352.39 g/mol, XLogP of 5.43, 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 is sourced from PubChem (CID 57381066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).