1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbaldehyde

C18H15NO3 — CID 4914630

IUPAC1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbaldehyde
SMILESCOc1ccc(Cn2c(=O)c(C=O)cc3ccccc32)cc1
InChIInChI=1S/C18H15NO3/c1-22-16-8-6-13(7-9-16)11-19-17-5-3-2-4-14(17)10-15(12-20)18(19)21/h2-10,12H,11H2,1H3
InChIKeyLHWJCXJROSQCQB-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.87
Rot. Bonds4

About 1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbaldehyde

1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbaldehyde (PubChem CID 4914630) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbaldehyde.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbaldehyde
PubChem CID4914630
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbaldehyde
SMILESCOc1ccc(Cn2c(=O)c(C=O)cc3ccccc32)cc1
InChIInChI=1S/C18H15NO3/c1-22-16-8-6-13(7-9-16)11-19-17-5-3-2-4-14(17)10-15(12-20)18(19)21/h2-10,12H,11H2,1H3
InChIKeyLHWJCXJROSQCQB-UHFFFAOYSA-N
XLogP2.87
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.87
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

N-ethyl-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide
CID 123844752
N-[2-(4-bromophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide
CID 142731963
methyl 2-oxo-1-[[4-(trifluoromethoxy)phenyl]methyl]quinoline-3-carboxylate
CID 142731706
2-(2-chlorophenyl)-1-[(4-methoxyphenyl)methyl]indole-4-carbaldehyde
CID 166175262
3-[(4-methoxyphenyl)methyl]-1-methylquinolin-2-one
CID 166443268
2-(4-bromophenyl)-1-[(4-methoxyphenyl)methyl]indole
CID 22387400
N-(diaminomethylidene)-1-[(4-methoxyphenyl)methyl]indole-2-carboxamide
CID 10829677
1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxoquinoline-3-carbonitrile
CID 166437920
6-[1-[(4-methoxyphenyl)methyl]indol-2-yl]hexan-1-ol
CID 142653865
1,2-dibenzyl-4-[(4-methoxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione
CID 166447403
1-[2-(4-methoxyphenyl)ethyl]-2-methylindole
CID 65444625
1-benzyl-2-oxoquinoline-3-carboxylic acid
CID 22754333

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbaldehyde?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbaldehyde (CID 4914630) is 1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbaldehyde.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbaldehyde?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbaldehyde is COc1ccc(Cn2c(=O)c(C=O)cc3ccccc32)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbaldehyde?
The InChIKey is LHWJCXJROSQCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-22-16-8-6-13(7-9-16)11-19-17-5-3-2-4-14(17)10-15(12-20)18(19)21/h2-10,12H,11H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbaldehyde?
1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbaldehyde has a molecular weight of 293.32 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbaldehyde is sourced from PubChem (CID 4914630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).