N-[2-(2,10-dimethylpyrido[3,2-g]quinolin-4-yl)oxyethyl]-N-propan-2-ylpropan-2-amine

C22H29N3O — CID 11428096

IUPACN-[2-(2,10-dimethylpyrido[3,2-g]quinolin-4-yl)oxyethyl]-N-propan-2-ylpropan-2-amine
SMILESCc1cc(OCCN(C(C)C)C(C)C)c2cc3cccnc3c(C)c2n1
InChIInChI=1S/C22H29N3O/c1-14(2)25(15(3)4)10-11-26-20-12-16(5)24-22-17(6)21-18(13-19(20)22)8-7-9-23-21/h7-9,12-15H,10-11H2,1-6H3
InChIKeyZAZPUOWUQMJZRW-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.90
Rot. Bonds6

About N-[2-(2,10-dimethylpyrido[3,2-g]quinolin-4-yl)oxyethyl]-N-propan-2-ylpropan-2-amine

N-[2-(2,10-dimethylpyrido[3,2-g]quinolin-4-yl)oxyethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 11428096) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[2-(2,10-dimethylpyrido[3,2-g]quinolin-4-yl)oxyethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(2,10-dimethylpyrido[3,2-g]quinolin-4-yl)oxyethyl]-N-propan-2-ylpropan-2-amine
PubChem CID11428096
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC NameN-[2-(2,10-dimethylpyrido[3,2-g]quinolin-4-yl)oxyethyl]-N-propan-2-ylpropan-2-amine
SMILESCc1cc(OCCN(C(C)C)C(C)C)c2cc3cccnc3c(C)c2n1
InChIInChI=1S/C22H29N3O/c1-14(2)25(15(3)4)10-11-26-20-12-16(5)24-22-17(6)21-18(13-19(20)22)8-7-9-23-21/h7-9,12-15H,10-11H2,1-6H3
InChIKeyZAZPUOWUQMJZRW-UHFFFAOYSA-N
XLogP4.90
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,10-dimethylpyrido[3,2-g]quinolin-4-yl)oxyethyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[2-(2,10-dimethylpyrido[3,2-g]quinolin-4-yl)oxyethyl]-N-propan-2-ylpropan-2-amine (CID 11428096) is N-[2-(2,10-dimethylpyrido[3,2-g]quinolin-4-yl)oxyethyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-(2,10-dimethylpyrido[3,2-g]quinolin-4-yl)oxyethyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[2-(2,10-dimethylpyrido[3,2-g]quinolin-4-yl)oxyethyl]-N-propan-2-ylpropan-2-amine is Cc1cc(OCCN(C(C)C)C(C)C)c2cc3cccnc3c(C)c2n1.
What is the InChIKey of N-[2-(2,10-dimethylpyrido[3,2-g]quinolin-4-yl)oxyethyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is ZAZPUOWUQMJZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-14(2)25(15(3)4)10-11-26-20-12-16(5)24-22-17(6)21-18(13-19(20)22)8-7-9-23-21/h7-9,12-15H,10-11H2,1-6H3.
What are the key properties of N-[2-(2,10-dimethylpyrido[3,2-g]quinolin-4-yl)oxyethyl]-N-propan-2-ylpropan-2-amine?
N-[2-(2,10-dimethylpyrido[3,2-g]quinolin-4-yl)oxyethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 351.49 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,10-dimethylpyrido[3,2-g]quinolin-4-yl)oxyethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 11428096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).