2-anilino-6-methyl-4-oxochromene-3-carbaldehyde

C17H13NO3 — CID 15850339

IUPAC2-anilino-6-methyl-4-oxochromene-3-carbaldehyde
SMILESCc1ccc2oc(Nc3ccccc3)c(C=O)c(=O)c2c1
InChIInChI=1S/C17H13NO3/c1-11-7-8-15-13(9-11)16(20)14(10-19)17(21-15)18-12-5-3-2-4-6-12/h2-10,18H,1H3
InChIKeyZDGUSVVUGNJWMQ-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.66
Rot. Bonds3

About 2-anilino-6-methyl-4-oxochromene-3-carbaldehyde

2-anilino-6-methyl-4-oxochromene-3-carbaldehyde (PubChem CID 15850339) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-anilino-6-methyl-4-oxochromene-3-carbaldehyde.

Molecular Properties

Compound Name2-anilino-6-methyl-4-oxochromene-3-carbaldehyde
PubChem CID15850339
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name2-anilino-6-methyl-4-oxochromene-3-carbaldehyde
SMILESCc1ccc2oc(Nc3ccccc3)c(C=O)c(=O)c2c1
InChIInChI=1S/C17H13NO3/c1-11-7-8-15-13(9-11)16(20)14(10-19)17(21-15)18-12-5-3-2-4-6-12/h2-10,18H,1H3
InChIKeyZDGUSVVUGNJWMQ-UHFFFAOYSA-N
XLogP3.66
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methylxanthen-9-one;xanthen-9-one
CID 70546954
3-iodo-6-methyl-2-phenylchromen-4-one
CID 164665609
2-methyl-7-phenylxanthen-9-one
CID 123326805
6-methyl-4-(2-phenylethynyl)chromen-2-one
CID 102263327
6-methyl-2-[(E)-2-phenylethenyl]chromen-4-one
CID 11499910
7-methyl-1-(4-methylphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857344
7-methyl-2-(4-methylphenyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857310
N-(4-anilinophenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790282
1-(4-hydroxyphenyl)-7-methyl-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857468
7-methyl-2-phenylchromeno[2,3-b]pyridin-5-one
CID 71384416
2-anilinochromen-4-one
CID 10823780
2-bromo-7-methylxanthen-9-one;ethane
CID 143958066

Frequently Asked Questions

What is the IUPAC name of 2-anilino-6-methyl-4-oxochromene-3-carbaldehyde?
The IUPAC name of 2-anilino-6-methyl-4-oxochromene-3-carbaldehyde (CID 15850339) is 2-anilino-6-methyl-4-oxochromene-3-carbaldehyde.
What is the SMILES notation for 2-anilino-6-methyl-4-oxochromene-3-carbaldehyde?
The canonical SMILES for 2-anilino-6-methyl-4-oxochromene-3-carbaldehyde is Cc1ccc2oc(Nc3ccccc3)c(C=O)c(=O)c2c1.
What is the InChIKey of 2-anilino-6-methyl-4-oxochromene-3-carbaldehyde?
The InChIKey is ZDGUSVVUGNJWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-11-7-8-15-13(9-11)16(20)14(10-19)17(21-15)18-12-5-3-2-4-6-12/h2-10,18H,1H3.
What are the key properties of 2-anilino-6-methyl-4-oxochromene-3-carbaldehyde?
2-anilino-6-methyl-4-oxochromene-3-carbaldehyde has a molecular weight of 279.30 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-6-methyl-4-oxochromene-3-carbaldehyde is sourced from PubChem (CID 15850339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).