4-(10H-indolo[3,2-b]quinolin-6-ylamino)-3-methoxyphenol

C22H17N3O2 — CID 19757768

IUPAC4-(10H-indolo[3,2-b]quinolin-6-ylamino)-3-methoxyphenol
SMILESCOc1cc(O)ccc1Nc1cccc2[nH]c3cc4ccccc4nc3c12
InChIInChI=1S/C22H17N3O2/c1-27-20-12-14(26)9-10-16(20)23-17-7-4-8-18-21(17)22-19(24-18)11-13-5-2-3-6-15(13)25-22/h2-12,23-24,26H,1H3
InChIKeyBECJPRWVRZMUCI-UHFFFAOYSA-N
MW355.40 g/mol
LogP5.33
Rot. Bonds3

About 4-(10H-indolo[3,2-b]quinolin-6-ylamino)-3-methoxyphenol

4-(10H-indolo[3,2-b]quinolin-6-ylamino)-3-methoxyphenol (PubChem CID 19757768) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 4-(10H-indolo[3,2-b]quinolin-6-ylamino)-3-methoxyphenol.

Molecular Properties

Compound Name4-(10H-indolo[3,2-b]quinolin-6-ylamino)-3-methoxyphenol
PubChem CID19757768
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name4-(10H-indolo[3,2-b]quinolin-6-ylamino)-3-methoxyphenol
SMILESCOc1cc(O)ccc1Nc1cccc2[nH]c3cc4ccccc4nc3c12
InChIInChI=1S/C22H17N3O2/c1-27-20-12-14(26)9-10-16(20)23-17-7-4-8-18-21(17)22-19(24-18)11-13-5-2-3-6-15(13)25-22/h2-12,23-24,26H,1H3
InChIKeyBECJPRWVRZMUCI-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-(10H-indolo[3,2-b]quinolin-6-ylamino)-3-methoxyphenol?
The IUPAC name of 4-(10H-indolo[3,2-b]quinolin-6-ylamino)-3-methoxyphenol (CID 19757768) is 4-(10H-indolo[3,2-b]quinolin-6-ylamino)-3-methoxyphenol.
What is the SMILES notation for 4-(10H-indolo[3,2-b]quinolin-6-ylamino)-3-methoxyphenol?
The canonical SMILES for 4-(10H-indolo[3,2-b]quinolin-6-ylamino)-3-methoxyphenol is COc1cc(O)ccc1Nc1cccc2[nH]c3cc4ccccc4nc3c12.
What is the InChIKey of 4-(10H-indolo[3,2-b]quinolin-6-ylamino)-3-methoxyphenol?
The InChIKey is BECJPRWVRZMUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c1-27-20-12-14(26)9-10-16(20)23-17-7-4-8-18-21(17)22-19(24-18)11-13-5-2-3-6-15(13)25-22/h2-12,23-24,26H,1H3.
What are the key properties of 4-(10H-indolo[3,2-b]quinolin-6-ylamino)-3-methoxyphenol?
4-(10H-indolo[3,2-b]quinolin-6-ylamino)-3-methoxyphenol 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-(10H-indolo[3,2-b]quinolin-6-ylamino)-3-methoxyphenol is sourced from PubChem (CID 19757768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).