2-(7-ethyl-5-methoxyimidazo[1,2-a]quinolin-2-yl)benzaldehyde

C21H18N2O2 — CID 88700198

IUPAC2-(7-ethyl-5-methoxyimidazo[1,2-a]quinolin-2-yl)benzaldehyde
SMILESCCc1ccc2c(c1)c(OC)cc1nc(-c3ccccc3C=O)cn12
InChIInChI=1S/C21H18N2O2/c1-3-14-8-9-19-17(10-14)20(25-2)11-21-22-18(12-23(19)21)16-7-5-4-6-15(16)13-24/h4-13H,3H2,1-2H3
InChIKeyVMWTXCOFENRLPV-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.54
Rot. Bonds4

About 2-(7-ethyl-5-methoxyimidazo[1,2-a]quinolin-2-yl)benzaldehyde

2-(7-ethyl-5-methoxyimidazo[1,2-a]quinolin-2-yl)benzaldehyde (PubChem CID 88700198) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-(7-ethyl-5-methoxyimidazo[1,2-a]quinolin-2-yl)benzaldehyde.

Molecular Properties

Compound Name2-(7-ethyl-5-methoxyimidazo[1,2-a]quinolin-2-yl)benzaldehyde
PubChem CID88700198
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name2-(7-ethyl-5-methoxyimidazo[1,2-a]quinolin-2-yl)benzaldehyde
SMILESCCc1ccc2c(c1)c(OC)cc1nc(-c3ccccc3C=O)cn12
InChIInChI=1S/C21H18N2O2/c1-3-14-8-9-19-17(10-14)20(25-2)11-21-22-18(12-23(19)21)16-7-5-4-6-15(16)13-24/h4-13H,3H2,1-2H3
InChIKeyVMWTXCOFENRLPV-UHFFFAOYSA-N
XLogP4.54
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-benzyl-7-ethyl-5-methoxyimidazo[1,2-a]quinoline
CID 173427428
(7-ethyl-5-methoxy-4-methylimidazo[1,2-a]quinolin-2-yl)-phenylmethanone
CID 13279132
1-benzyl-5,6-dimethoxyindole-3-carbaldehyde
CID 54532101
2-(1-methylimidazol-4-yl)benzaldehyde
CID 123462698
2-ethyl-6-(2-methoxyphenyl)-3-oxopyridazine-4-carbaldehyde
CID 82444965
2-(2-chlorophenyl)-1-[(4-methoxyphenyl)methyl]indole-4-carbaldehyde
CID 166175262
methyl N-[2-[3-(2-formylphenyl)-4,5-dimethoxyphenyl]ethyl]carbamate
CID 132555195
2-[4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-yl]acetaldehyde
CID 116968837
2-methoxy-3-naphthalen-1-ylbenzaldehyde
CID 10879893
2-[2-(4-ethylphenoxy)ethoxy]-3-methoxybenzaldehyde
CID 22683414
2-(4-methoxy-3-methylphenyl)benzaldehyde
CID 54910312
1-ethenyl-3-ethylbenzene;1-ethenyl-2-methoxybenzene
CID 122483401

Frequently Asked Questions

What is the IUPAC name of 2-(7-ethyl-5-methoxyimidazo[1,2-a]quinolin-2-yl)benzaldehyde?
The IUPAC name of 2-(7-ethyl-5-methoxyimidazo[1,2-a]quinolin-2-yl)benzaldehyde (CID 88700198) is 2-(7-ethyl-5-methoxyimidazo[1,2-a]quinolin-2-yl)benzaldehyde.
What is the SMILES notation for 2-(7-ethyl-5-methoxyimidazo[1,2-a]quinolin-2-yl)benzaldehyde?
The canonical SMILES for 2-(7-ethyl-5-methoxyimidazo[1,2-a]quinolin-2-yl)benzaldehyde is CCc1ccc2c(c1)c(OC)cc1nc(-c3ccccc3C=O)cn12.
What is the InChIKey of 2-(7-ethyl-5-methoxyimidazo[1,2-a]quinolin-2-yl)benzaldehyde?
The InChIKey is VMWTXCOFENRLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-3-14-8-9-19-17(10-14)20(25-2)11-21-22-18(12-23(19)21)16-7-5-4-6-15(16)13-24/h4-13H,3H2,1-2H3.
What are the key properties of 2-(7-ethyl-5-methoxyimidazo[1,2-a]quinolin-2-yl)benzaldehyde?
2-(7-ethyl-5-methoxyimidazo[1,2-a]quinolin-2-yl)benzaldehyde has a molecular weight of 330.39 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethyl-5-methoxyimidazo[1,2-a]quinolin-2-yl)benzaldehyde is sourced from PubChem (CID 88700198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).