2-N-(2-phenoxyethyl)-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine

C23H22N4O — CID 25235487

IUPAC2-N-(2-phenoxyethyl)-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine
SMILESc1ccc(OCCNc2ccc3cc(NCc4cccnc4)ccc3n2)cc1
InChIInChI=1S/C23H22N4O/c1-2-6-21(7-3-1)28-14-13-25-23-11-8-19-15-20(9-10-22(19)27-23)26-17-18-5-4-12-24-16-18/h1-12,15-16,26H,13-14,17H2,(H,25,27)
InChIKeyDFXKXKIBCOYPKL-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.73
Rot. Bonds8

About 2-N-(2-phenoxyethyl)-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine

2-N-(2-phenoxyethyl)-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine (PubChem CID 25235487) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-N-(2-phenoxyethyl)-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine.

Molecular Properties

Compound Name2-N-(2-phenoxyethyl)-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine
PubChem CID25235487
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name2-N-(2-phenoxyethyl)-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine
SMILESc1ccc(OCCNc2ccc3cc(NCc4cccnc4)ccc3n2)cc1
InChIInChI=1S/C23H22N4O/c1-2-6-21(7-3-1)28-14-13-25-23-11-8-19-15-20(9-10-22(19)27-23)26-17-18-5-4-12-24-16-18/h1-12,15-16,26H,13-14,17H2,(H,25,27)
InChIKeyDFXKXKIBCOYPKL-UHFFFAOYSA-N
XLogP4.73
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-N-[(3-fluorophenyl)methyl]-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine
CID 68576188
N-(pyridin-3-ylmethyl)quinolin-6-amine
CID 53392291
N-(2-phenoxyethyl)-2-(pyridin-3-ylmethylamino)quinoline-4-carboxamide
CID 117090736
6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860749
N-(3-phenoxypropyl)quinolin-2-amine
CID 60678079
5-methyl-4-N-(2-phenoxyethyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 117087930
3-phenoxy-N-[4-(pyridin-3-ylmethylamino)phenyl]propanamide
CID 112983036
2-N-(4-phenoxyphenyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893518
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
4-N-benzyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112889409
2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzotriazol-5-amine
CID 2034260
2-N,3-N-bis(pyridin-3-ylmethyl)benzo[g]quinoxaline-2,3-diamine
CID 70165419

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-phenoxyethyl)-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine?
The IUPAC name of 2-N-(2-phenoxyethyl)-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine (CID 25235487) is 2-N-(2-phenoxyethyl)-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine.
What is the SMILES notation for 2-N-(2-phenoxyethyl)-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine?
The canonical SMILES for 2-N-(2-phenoxyethyl)-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine is c1ccc(OCCNc2ccc3cc(NCc4cccnc4)ccc3n2)cc1.
What is the InChIKey of 2-N-(2-phenoxyethyl)-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine?
The InChIKey is DFXKXKIBCOYPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-2-6-21(7-3-1)28-14-13-25-23-11-8-19-15-20(9-10-22(19)27-23)26-17-18-5-4-12-24-16-18/h1-12,15-16,26H,13-14,17H2,(H,25,27).
What are the key properties of 2-N-(2-phenoxyethyl)-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine?
2-N-(2-phenoxyethyl)-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine has a molecular weight of 370.46 g/mol, XLogP of 4.73, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-phenoxyethyl)-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine is sourced from PubChem (CID 25235487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).