3-amino-4-(naphthalen-2-ylamino)isochromen-1-one

C19H14N2O2 — CID 51064940

IUPAC3-amino-4-(naphthalen-2-ylamino)isochromen-1-one
SMILESNc1oc(=O)c2ccccc2c1Nc1ccc2ccccc2c1
InChIInChI=1S/C19H14N2O2/c20-18-17(15-7-3-4-8-16(15)19(22)23-18)21-14-10-9-12-5-1-2-6-13(12)11-14/h1-11,21H,20H2
InChIKeyNLYXQVROFBYOKI-UHFFFAOYSA-N
MW302.33 g/mol
LogP4.27
Rot. Bonds2

About 3-amino-4-(naphthalen-2-ylamino)isochromen-1-one

3-amino-4-(naphthalen-2-ylamino)isochromen-1-one (PubChem CID 51064940) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-amino-4-(naphthalen-2-ylamino)isochromen-1-one.

Molecular Properties

Compound Name3-amino-4-(naphthalen-2-ylamino)isochromen-1-one
PubChem CID51064940
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name3-amino-4-(naphthalen-2-ylamino)isochromen-1-one
SMILESNc1oc(=O)c2ccccc2c1Nc1ccc2ccccc2c1
InChIInChI=1S/C19H14N2O2/c20-18-17(15-7-3-4-8-16(15)19(22)23-18)21-14-10-9-12-5-1-2-6-13(12)11-14/h1-11,21H,20H2
InChIKeyNLYXQVROFBYOKI-UHFFFAOYSA-N
XLogP4.27
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(naphthalen-2-ylamino)isochromen-1-one?
The IUPAC name of 3-amino-4-(naphthalen-2-ylamino)isochromen-1-one (CID 51064940) is 3-amino-4-(naphthalen-2-ylamino)isochromen-1-one.
What is the SMILES notation for 3-amino-4-(naphthalen-2-ylamino)isochromen-1-one?
The canonical SMILES for 3-amino-4-(naphthalen-2-ylamino)isochromen-1-one is Nc1oc(=O)c2ccccc2c1Nc1ccc2ccccc2c1.
What is the InChIKey of 3-amino-4-(naphthalen-2-ylamino)isochromen-1-one?
The InChIKey is NLYXQVROFBYOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c20-18-17(15-7-3-4-8-16(15)19(22)23-18)21-14-10-9-12-5-1-2-6-13(12)11-14/h1-11,21H,20H2.
What are the key properties of 3-amino-4-(naphthalen-2-ylamino)isochromen-1-one?
3-amino-4-(naphthalen-2-ylamino)isochromen-1-one has a molecular weight of 302.33 g/mol, XLogP of 4.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(naphthalen-2-ylamino)isochromen-1-one is sourced from PubChem (CID 51064940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).