3-(10H-indolo[3,2-b]quinolin-11-ylamino)phenol

C21H15N3O — CID 122195733

IUPAC3-(10H-indolo[3,2-b]quinolin-11-ylamino)phenol
SMILESOc1cccc(Nc2c3ccccc3nc3c2[nH]c2ccccc23)c1
InChIInChI=1S/C21H15N3O/c25-14-7-5-6-13(12-14)22-19-15-8-1-3-10-17(15)23-20-16-9-2-4-11-18(16)24-21(19)20/h1-12,24-25H,(H,22,23)
InChIKeyDXENBSIRCJWXLI-UHFFFAOYSA-N
MW325.37 g/mol
LogP5.32
Rot. Bonds2

About 3-(10H-indolo[3,2-b]quinolin-11-ylamino)phenol

3-(10H-indolo[3,2-b]quinolin-11-ylamino)phenol (PubChem CID 122195733) has the molecular formula C21H15N3O and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-(10H-indolo[3,2-b]quinolin-11-ylamino)phenol.

Molecular Properties

Compound Name3-(10H-indolo[3,2-b]quinolin-11-ylamino)phenol
PubChem CID122195733
Molecular FormulaC21H15N3O
Molecular Weight325.37 g/mol
Exact Mass325.12
IUPAC Name3-(10H-indolo[3,2-b]quinolin-11-ylamino)phenol
SMILESOc1cccc(Nc2c3ccccc3nc3c2[nH]c2ccccc23)c1
InChIInChI=1S/C21H15N3O/c25-14-7-5-6-13(12-14)22-19-15-8-1-3-10-17(15)23-20-16-9-2-4-11-18(16)24-21(19)20/h1-12,24-25H,(H,22,23)
InChIKeyDXENBSIRCJWXLI-UHFFFAOYSA-N
XLogP5.32
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.37
LogP ≤ 55.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(10H-indolo[3,2-b]quinolin-11-ylamino)phenol?
The IUPAC name of 3-(10H-indolo[3,2-b]quinolin-11-ylamino)phenol (CID 122195733) is 3-(10H-indolo[3,2-b]quinolin-11-ylamino)phenol.
What is the SMILES notation for 3-(10H-indolo[3,2-b]quinolin-11-ylamino)phenol?
The canonical SMILES for 3-(10H-indolo[3,2-b]quinolin-11-ylamino)phenol is Oc1cccc(Nc2c3ccccc3nc3c2[nH]c2ccccc23)c1.
What is the InChIKey of 3-(10H-indolo[3,2-b]quinolin-11-ylamino)phenol?
The InChIKey is DXENBSIRCJWXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O/c25-14-7-5-6-13(12-14)22-19-15-8-1-3-10-17(15)23-20-16-9-2-4-11-18(16)24-21(19)20/h1-12,24-25H,(H,22,23).
What are the key properties of 3-(10H-indolo[3,2-b]quinolin-11-ylamino)phenol?
3-(10H-indolo[3,2-b]quinolin-11-ylamino)phenol has a molecular weight of 325.37 g/mol, XLogP of 5.32, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10H-indolo[3,2-b]quinolin-11-ylamino)phenol is sourced from PubChem (CID 122195733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).