7-[[3-[(2-pyridin-2-ylethylamino)methyl]phenoxy]methyl]quinolin-2-amine

C24H24N4O — CID 155926528

IUPAC7-[[3-[(2-pyridin-2-ylethylamino)methyl]phenoxy]methyl]quinolin-2-amine
SMILESNc1ccc2ccc(COc3cccc(CNCCc4ccccn4)c3)cc2n1
InChIInChI=1S/C24H24N4O/c25-24-10-9-20-8-7-19(15-23(20)28-24)17-29-22-6-3-4-18(14-22)16-26-13-11-21-5-1-2-12-27-21/h1-10,12,14-15,26H,11,13,16-17H2,(H2,25,28)
InChIKeyVWEIPCRIPQWNJS-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.12
Rot. Bonds8

About 7-[[3-[(2-pyridin-2-ylethylamino)methyl]phenoxy]methyl]quinolin-2-amine

7-[[3-[(2-pyridin-2-ylethylamino)methyl]phenoxy]methyl]quinolin-2-amine (PubChem CID 155926528) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 7-[[3-[(2-pyridin-2-ylethylamino)methyl]phenoxy]methyl]quinolin-2-amine.

Molecular Properties

Compound Name7-[[3-[(2-pyridin-2-ylethylamino)methyl]phenoxy]methyl]quinolin-2-amine
PubChem CID155926528
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name7-[[3-[(2-pyridin-2-ylethylamino)methyl]phenoxy]methyl]quinolin-2-amine
SMILESNc1ccc2ccc(COc3cccc(CNCCc4ccccn4)c3)cc2n1
InChIInChI=1S/C24H24N4O/c25-24-10-9-20-8-7-19(15-23(20)28-24)17-29-22-6-3-4-18(14-22)16-26-13-11-21-5-1-2-12-27-21/h1-10,12,14-15,26H,11,13,16-17H2,(H2,25,28)
InChIKeyVWEIPCRIPQWNJS-UHFFFAOYSA-N
XLogP4.12
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-[[3-[(2-pyridin-2-ylethylamino)methyl]phenoxy]methyl]quinolin-2-amine with MolForge

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Related Compounds

Zotiraciclib
CID 16739650
Evp4593
CID 509554
6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 5329484
N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998
7-[(3-Phenoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2923731
2,3-Pyridinediamine, N3-[[5-(1H-indol-6-yl)-2-(phenylmethoxy)phenyl]methyl]-
CID 11517373
Dibenzo[c,f][2,7]naphthyridine, 12
CID 17754398
5-[(1E)-(methoxyimino)methyl]-6-(quinolin-6-yloxy)pyrimidin-4-amine
CID 23644667
6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}isoquinolin-1-amine
CID 23647580
Dibenzo[c,f][2,7]naphthyridine, 14
CID 23648180
Dibenzo[c,f][2,7]naphthyridine, 16
CID 23648181
N2-(2-Methoxyphenethyl)-N4-methyl-N6-(quinolin-6-yl)-1,3,5-triazine-2,4,6-triamine
CID 24767924

Frequently Asked Questions

What is the IUPAC name of 7-[[3-[(2-pyridin-2-ylethylamino)methyl]phenoxy]methyl]quinolin-2-amine?
The IUPAC name of 7-[[3-[(2-pyridin-2-ylethylamino)methyl]phenoxy]methyl]quinolin-2-amine (CID 155926528) is 7-[[3-[(2-pyridin-2-ylethylamino)methyl]phenoxy]methyl]quinolin-2-amine.
What is the SMILES notation for 7-[[3-[(2-pyridin-2-ylethylamino)methyl]phenoxy]methyl]quinolin-2-amine?
The canonical SMILES for 7-[[3-[(2-pyridin-2-ylethylamino)methyl]phenoxy]methyl]quinolin-2-amine is Nc1ccc2ccc(COc3cccc(CNCCc4ccccn4)c3)cc2n1.
What is the InChIKey of 7-[[3-[(2-pyridin-2-ylethylamino)methyl]phenoxy]methyl]quinolin-2-amine?
The InChIKey is VWEIPCRIPQWNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c25-24-10-9-20-8-7-19(15-23(20)28-24)17-29-22-6-3-4-18(14-22)16-26-13-11-21-5-1-2-12-27-21/h1-10,12,14-15,26H,11,13,16-17H2,(H2,25,28).
What are the key properties of 7-[[3-[(2-pyridin-2-ylethylamino)methyl]phenoxy]methyl]quinolin-2-amine?
7-[[3-[(2-pyridin-2-ylethylamino)methyl]phenoxy]methyl]quinolin-2-amine has a molecular weight of 384.48 g/mol, XLogP of 4.12, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-[(2-pyridin-2-ylethylamino)methyl]phenoxy]methyl]quinolin-2-amine is sourced from PubChem (CID 155926528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).