2-methyl-N-(2-morpholin-4-ylethyl)benzo[h]quinolin-4-amine

C20H23N3O — CID 709461

IUPAC2-methyl-N-(2-morpholin-4-ylethyl)benzo[h]quinolin-4-amine
SMILESCc1cc(NCCN2CCOCC2)c2ccc3ccccc3c2n1
InChIInChI=1S/C20H23N3O/c1-15-14-19(21-8-9-23-10-12-24-13-11-23)18-7-6-16-4-2-3-5-17(16)20(18)22-15/h2-7,14H,8-13H2,1H3,(H,21,22)
InChIKeyNXGXYRFMQIASBS-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.44
Rot. Bonds4

About 2-methyl-N-(2-morpholin-4-ylethyl)benzo[h]quinolin-4-amine

2-methyl-N-(2-morpholin-4-ylethyl)benzo[h]quinolin-4-amine (PubChem CID 709461) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-methyl-N-(2-morpholin-4-ylethyl)benzo[h]quinolin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(2-morpholin-4-ylethyl)benzo[h]quinolin-4-amine
PubChem CID709461
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name2-methyl-N-(2-morpholin-4-ylethyl)benzo[h]quinolin-4-amine
SMILESCc1cc(NCCN2CCOCC2)c2ccc3ccccc3c2n1
InChIInChI=1S/C20H23N3O/c1-15-14-19(21-8-9-23-10-12-24-13-11-23)18-7-6-16-4-2-3-5-17(16)20(18)22-15/h2-7,14H,8-13H2,1H3,(H,21,22)
InChIKeyNXGXYRFMQIASBS-UHFFFAOYSA-N
XLogP3.44
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-morpholin-4-ylethyl)benzo[h]quinolin-4-amine?
The IUPAC name of 2-methyl-N-(2-morpholin-4-ylethyl)benzo[h]quinolin-4-amine (CID 709461) is 2-methyl-N-(2-morpholin-4-ylethyl)benzo[h]quinolin-4-amine.
What is the SMILES notation for 2-methyl-N-(2-morpholin-4-ylethyl)benzo[h]quinolin-4-amine?
The canonical SMILES for 2-methyl-N-(2-morpholin-4-ylethyl)benzo[h]quinolin-4-amine is Cc1cc(NCCN2CCOCC2)c2ccc3ccccc3c2n1.
What is the InChIKey of 2-methyl-N-(2-morpholin-4-ylethyl)benzo[h]quinolin-4-amine?
The InChIKey is NXGXYRFMQIASBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-15-14-19(21-8-9-23-10-12-24-13-11-23)18-7-6-16-4-2-3-5-17(16)20(18)22-15/h2-7,14H,8-13H2,1H3,(H,21,22).
What are the key properties of 2-methyl-N-(2-morpholin-4-ylethyl)benzo[h]quinolin-4-amine?
2-methyl-N-(2-morpholin-4-ylethyl)benzo[h]quinolin-4-amine has a molecular weight of 321.42 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-morpholin-4-ylethyl)benzo[h]quinolin-4-amine is sourced from PubChem (CID 709461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).