7-(diethylamino)-8-methyl-2-oxochromene-3-carbaldehyde;pyridine;hydrochloride

C20H23ClN2O3 — CID 173448674

IUPAC7-(diethylamino)-8-methyl-2-oxochromene-3-carbaldehyde;pyridine;hydrochloride
SMILESCCN(CC)c1ccc2cc(C=O)c(=O)oc2c1C.Cl.c1ccncc1
InChIInChI=1S/C15H17NO3.C5H5N.ClH/c1-4-16(5-2)13-7-6-11-8-12(9-17)15(18)19-14(11)10(13)3;1-2-4-6-5-3-1;/h6-9H,4-5H2,1-3H3;1-5H;1H
InChIKeyYVWRSRYPKWRTEL-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.26
Rot. Bonds4

About 7-(diethylamino)-8-methyl-2-oxochromene-3-carbaldehyde;pyridine;hydrochloride

7-(diethylamino)-8-methyl-2-oxochromene-3-carbaldehyde;pyridine;hydrochloride (PubChem CID 173448674) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 7-(diethylamino)-8-methyl-2-oxochromene-3-carbaldehyde;pyridine;hydrochloride.

Molecular Properties

Compound Name7-(diethylamino)-8-methyl-2-oxochromene-3-carbaldehyde;pyridine;hydrochloride
PubChem CID173448674
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name7-(diethylamino)-8-methyl-2-oxochromene-3-carbaldehyde;pyridine;hydrochloride
SMILESCCN(CC)c1ccc2cc(C=O)c(=O)oc2c1C.Cl.c1ccncc1
InChIInChI=1S/C15H17NO3.C5H5N.ClH/c1-4-16(5-2)13-7-6-11-8-12(9-17)15(18)19-14(11)10(13)3;1-2-4-6-5-3-1;/h6-9H,4-5H2,1-3H3;1-5H;1H
InChIKeyYVWRSRYPKWRTEL-UHFFFAOYSA-N
XLogP4.26
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-8-methyl-2-oxochromene-3-carbaldehyde;pyridine;hydrochloride?
The IUPAC name of 7-(diethylamino)-8-methyl-2-oxochromene-3-carbaldehyde;pyridine;hydrochloride (CID 173448674) is 7-(diethylamino)-8-methyl-2-oxochromene-3-carbaldehyde;pyridine;hydrochloride.
What is the SMILES notation for 7-(diethylamino)-8-methyl-2-oxochromene-3-carbaldehyde;pyridine;hydrochloride?
The canonical SMILES for 7-(diethylamino)-8-methyl-2-oxochromene-3-carbaldehyde;pyridine;hydrochloride is CCN(CC)c1ccc2cc(C=O)c(=O)oc2c1C.Cl.c1ccncc1.
What is the InChIKey of 7-(diethylamino)-8-methyl-2-oxochromene-3-carbaldehyde;pyridine;hydrochloride?
The InChIKey is YVWRSRYPKWRTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3.C5H5N.ClH/c1-4-16(5-2)13-7-6-11-8-12(9-17)15(18)19-14(11)10(13)3;1-2-4-6-5-3-1;/h6-9H,4-5H2,1-3H3;1-5H;1H.
What are the key properties of 7-(diethylamino)-8-methyl-2-oxochromene-3-carbaldehyde;pyridine;hydrochloride?
7-(diethylamino)-8-methyl-2-oxochromene-3-carbaldehyde;pyridine;hydrochloride has a molecular weight of 374.87 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-8-methyl-2-oxochromene-3-carbaldehyde;pyridine;hydrochloride is sourced from PubChem (CID 173448674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).