2-methyl-7-(7-phenylmethoxyquinolin-4-yl)oxyimidazo[1,2-a]pyridine-3-carbaldehyde

C25H19N3O3 — CID 88955628

IUPAC2-methyl-7-(7-phenylmethoxyquinolin-4-yl)oxyimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCc1nc2cc(Oc3ccnc4cc(OCc5ccccc5)ccc34)ccn2c1C=O
InChIInChI=1S/C25H19N3O3/c1-17-23(15-29)28-12-10-20(14-25(28)27-17)31-24-9-11-26-22-13-19(7-8-21(22)24)30-16-18-5-3-2-4-6-18/h2-15H,16H2,1H3
InChIKeyBMRUDQGGIBLELR-UHFFFAOYSA-N
MW409.45 g/mol
LogP5.37
Rot. Bonds6

About 2-methyl-7-(7-phenylmethoxyquinolin-4-yl)oxyimidazo[1,2-a]pyridine-3-carbaldehyde

2-methyl-7-(7-phenylmethoxyquinolin-4-yl)oxyimidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 88955628) has the molecular formula C25H19N3O3 and a molecular weight of 409.45 g/mol. Its IUPAC name is 2-methyl-7-(7-phenylmethoxyquinolin-4-yl)oxyimidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-methyl-7-(7-phenylmethoxyquinolin-4-yl)oxyimidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID88955628
Molecular FormulaC25H19N3O3
Molecular Weight409.45 g/mol
Exact Mass409.14
IUPAC Name2-methyl-7-(7-phenylmethoxyquinolin-4-yl)oxyimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCc1nc2cc(Oc3ccnc4cc(OCc5ccccc5)ccc34)ccn2c1C=O
InChIInChI=1S/C25H19N3O3/c1-17-23(15-29)28-12-10-20(14-25(28)27-17)31-24-9-11-26-22-13-19(7-8-21(22)24)30-16-18-5-3-2-4-6-18/h2-15H,16H2,1H3
InChIKeyBMRUDQGGIBLELR-UHFFFAOYSA-N
XLogP5.37
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.45
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-methyl-7-(7-phenylmethoxyquinolin-4-yl)oxyimidazo[1,2-a]pyridine-3-carbaldehyde with MolForge

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Related Compounds

N-(4,6-dimethyl-2-pyridinyl)-2-methyl-6-(7-phenylmethoxyquinolin-4-yl)oxy-1-benzofuran-3-carboxamide
CID 59730751
4-methyl-6-phenylmethoxyquinoline-2-carbaldehyde
CID 82573841
3-methyl-2-[2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]-7-phenylmethoxyimidazo[1,2-a]pyridine
CID 54572134
6-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxy-N-methylnaphthalene-1-carboxamide
CID 67276786
2-bromo-4-phenylmethoxybenzaldehyde
CID 11173819
ethane;7-phenylmethoxy-3H-quinazolin-4-one
CID 136656815
2-[4-(7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
CID 18456647
2-methyl-6-phenylmethoxyquinoline
CID 82580854
4-phenylmethoxyquinoline
CID 11299312
2,3-dimethyl-6-phenylmethoxyquinolin-4-amine
CID 62204130
2-chloro-4-methyl-6-phenylmethoxyquinoline
CID 82580959
6-methoxy-4-(2-methylquinolin-3-yl)oxy-7-phenylmethoxyquinoline
CID 23078517

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(7-phenylmethoxyquinolin-4-yl)oxyimidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-methyl-7-(7-phenylmethoxyquinolin-4-yl)oxyimidazo[1,2-a]pyridine-3-carbaldehyde (CID 88955628) is 2-methyl-7-(7-phenylmethoxyquinolin-4-yl)oxyimidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-methyl-7-(7-phenylmethoxyquinolin-4-yl)oxyimidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-methyl-7-(7-phenylmethoxyquinolin-4-yl)oxyimidazo[1,2-a]pyridine-3-carbaldehyde is Cc1nc2cc(Oc3ccnc4cc(OCc5ccccc5)ccc34)ccn2c1C=O.
What is the InChIKey of 2-methyl-7-(7-phenylmethoxyquinolin-4-yl)oxyimidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is BMRUDQGGIBLELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O3/c1-17-23(15-29)28-12-10-20(14-25(28)27-17)31-24-9-11-26-22-13-19(7-8-21(22)24)30-16-18-5-3-2-4-6-18/h2-15H,16H2,1H3.
What are the key properties of 2-methyl-7-(7-phenylmethoxyquinolin-4-yl)oxyimidazo[1,2-a]pyridine-3-carbaldehyde?
2-methyl-7-(7-phenylmethoxyquinolin-4-yl)oxyimidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 409.45 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(7-phenylmethoxyquinolin-4-yl)oxyimidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 88955628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).