N-[4-[6-[1-(2-methoxyethylamino)ethenyl]-3-pyridinyl]phenyl]-2,6,8-trimethylquinolin-4-amine

C28H30N4O — CID 118900854

IUPACN-[4-[6-[1-(2-methoxyethylamino)ethenyl]-3-pyridinyl]phenyl]-2,6,8-trimethylquinolin-4-amine
SMILESC=C(NCCOC)c1ccc(-c2ccc(Nc3cc(C)nc4c(C)cc(C)cc34)cc2)cn1
InChIInChI=1S/C28H30N4O/c1-18-14-19(2)28-25(15-18)27(16-20(3)31-28)32-24-9-6-22(7-10-24)23-8-11-26(30-17-23)21(4)29-12-13-33-5/h6-11,14-17,29H,4,12-13H2,1-3,5H3,(H,31,32)
InChIKeyAQHGGNVSRZRGQT-UHFFFAOYSA-N
MW438.58 g/mol
LogP6.17
Rot. Bonds8

About N-[4-[6-[1-(2-methoxyethylamino)ethenyl]-3-pyridinyl]phenyl]-2,6,8-trimethylquinolin-4-amine

N-[4-[6-[1-(2-methoxyethylamino)ethenyl]-3-pyridinyl]phenyl]-2,6,8-trimethylquinolin-4-amine (PubChem CID 118900854) has the molecular formula C28H30N4O and a molecular weight of 438.58 g/mol. Its IUPAC name is N-[4-[6-[1-(2-methoxyethylamino)ethenyl]-3-pyridinyl]phenyl]-2,6,8-trimethylquinolin-4-amine.

Molecular Properties

Compound NameN-[4-[6-[1-(2-methoxyethylamino)ethenyl]-3-pyridinyl]phenyl]-2,6,8-trimethylquinolin-4-amine
PubChem CID118900854
Molecular FormulaC28H30N4O
Molecular Weight438.58 g/mol
Exact Mass438.24
IUPAC NameN-[4-[6-[1-(2-methoxyethylamino)ethenyl]-3-pyridinyl]phenyl]-2,6,8-trimethylquinolin-4-amine
SMILESC=C(NCCOC)c1ccc(-c2ccc(Nc3cc(C)nc4c(C)cc(C)cc34)cc2)cn1
InChIInChI=1S/C28H30N4O/c1-18-14-19(2)28-25(15-18)27(16-20(3)31-28)32-24-9-6-22(7-10-24)23-8-11-26(30-17-23)21(4)29-12-13-33-5/h6-11,14-17,29H,4,12-13H2,1-3,5H3,(H,31,32)
InChIKeyAQHGGNVSRZRGQT-UHFFFAOYSA-N
XLogP6.17
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.58
LogP ≤ 56.17
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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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[1-(2-methoxyethylamino)ethenyl]-3-pyridinyl]phenyl]-2,6,8-trimethylquinolin-4-amine?
The IUPAC name of N-[4-[6-[1-(2-methoxyethylamino)ethenyl]-3-pyridinyl]phenyl]-2,6,8-trimethylquinolin-4-amine (CID 118900854) is N-[4-[6-[1-(2-methoxyethylamino)ethenyl]-3-pyridinyl]phenyl]-2,6,8-trimethylquinolin-4-amine.
What is the SMILES notation for N-[4-[6-[1-(2-methoxyethylamino)ethenyl]-3-pyridinyl]phenyl]-2,6,8-trimethylquinolin-4-amine?
The canonical SMILES for N-[4-[6-[1-(2-methoxyethylamino)ethenyl]-3-pyridinyl]phenyl]-2,6,8-trimethylquinolin-4-amine is C=C(NCCOC)c1ccc(-c2ccc(Nc3cc(C)nc4c(C)cc(C)cc34)cc2)cn1.
What is the InChIKey of N-[4-[6-[1-(2-methoxyethylamino)ethenyl]-3-pyridinyl]phenyl]-2,6,8-trimethylquinolin-4-amine?
The InChIKey is AQHGGNVSRZRGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O/c1-18-14-19(2)28-25(15-18)27(16-20(3)31-28)32-24-9-6-22(7-10-24)23-8-11-26(30-17-23)21(4)29-12-13-33-5/h6-11,14-17,29H,4,12-13H2,1-3,5H3,(H,31,32).
What are the key properties of N-[4-[6-[1-(2-methoxyethylamino)ethenyl]-3-pyridinyl]phenyl]-2,6,8-trimethylquinolin-4-amine?
N-[4-[6-[1-(2-methoxyethylamino)ethenyl]-3-pyridinyl]phenyl]-2,6,8-trimethylquinolin-4-amine has a molecular weight of 438.58 g/mol, XLogP of 6.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-[1-(2-methoxyethylamino)ethenyl]-3-pyridinyl]phenyl]-2,6,8-trimethylquinolin-4-amine is sourced from PubChem (CID 118900854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).