4-[(7-methoxy-10H-indolo[3,2-b]quinolin-11-yl)amino]phenol

C22H17N3O2 — CID 122195744

IUPAC4-[(7-methoxy-10H-indolo[3,2-b]quinolin-11-yl)amino]phenol
SMILESCOc1ccc2[nH]c3c(Nc4ccc(O)cc4)c4ccccc4nc3c2c1
InChIInChI=1S/C22H17N3O2/c1-27-15-10-11-19-17(12-15)21-22(25-19)20(16-4-2-3-5-18(16)24-21)23-13-6-8-14(26)9-7-13/h2-12,25-26H,1H3,(H,23,24)
InChIKeySSUNKIKRKXWNBW-UHFFFAOYSA-N
MW355.40 g/mol
LogP5.33
Rot. Bonds3

About 4-[(7-methoxy-10H-indolo[3,2-b]quinolin-11-yl)amino]phenol

4-[(7-methoxy-10H-indolo[3,2-b]quinolin-11-yl)amino]phenol (PubChem CID 122195744) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 4-[(7-methoxy-10H-indolo[3,2-b]quinolin-11-yl)amino]phenol.

Molecular Properties

Compound Name4-[(7-methoxy-10H-indolo[3,2-b]quinolin-11-yl)amino]phenol
PubChem CID122195744
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name4-[(7-methoxy-10H-indolo[3,2-b]quinolin-11-yl)amino]phenol
SMILESCOc1ccc2[nH]c3c(Nc4ccc(O)cc4)c4ccccc4nc3c2c1
InChIInChI=1S/C22H17N3O2/c1-27-15-10-11-19-17(12-15)21-22(25-19)20(16-4-2-3-5-18(16)24-21)23-13-6-8-14(26)9-7-13/h2-12,25-26H,1H3,(H,23,24)
InChIKeySSUNKIKRKXWNBW-UHFFFAOYSA-N
XLogP5.33
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.40
LogP ≤ 55.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(7-methoxy-10H-indolo[3,2-b]quinolin-11-yl)amino]phenol?
The IUPAC name of 4-[(7-methoxy-10H-indolo[3,2-b]quinolin-11-yl)amino]phenol (CID 122195744) is 4-[(7-methoxy-10H-indolo[3,2-b]quinolin-11-yl)amino]phenol.
What is the SMILES notation for 4-[(7-methoxy-10H-indolo[3,2-b]quinolin-11-yl)amino]phenol?
The canonical SMILES for 4-[(7-methoxy-10H-indolo[3,2-b]quinolin-11-yl)amino]phenol is COc1ccc2[nH]c3c(Nc4ccc(O)cc4)c4ccccc4nc3c2c1.
What is the InChIKey of 4-[(7-methoxy-10H-indolo[3,2-b]quinolin-11-yl)amino]phenol?
The InChIKey is SSUNKIKRKXWNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c1-27-15-10-11-19-17(12-15)21-22(25-19)20(16-4-2-3-5-18(16)24-21)23-13-6-8-14(26)9-7-13/h2-12,25-26H,1H3,(H,23,24).
What are the key properties of 4-[(7-methoxy-10H-indolo[3,2-b]quinolin-11-yl)amino]phenol?
4-[(7-methoxy-10H-indolo[3,2-b]quinolin-11-yl)amino]phenol has a molecular weight of 355.40 g/mol, XLogP of 5.33, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-methoxy-10H-indolo[3,2-b]quinolin-11-yl)amino]phenol is sourced from PubChem (CID 122195744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).