7-(diethylamino)-2-(2-methylphenyl)iminochromene-3-carboxamide

C21H23N3O2 — CID 4038496

IUPAC7-(diethylamino)-2-(2-methylphenyl)iminochromene-3-carboxamide
SMILESCCN(CC)c1ccc2cc(C(N)=O)/c(=N/c3ccccc3C)oc2c1
InChIInChI=1S/C21H23N3O2/c1-4-24(5-2)16-11-10-15-12-17(20(22)25)21(26-19(15)13-16)23-18-9-7-6-8-14(18)3/h6-13H,4-5H2,1-3H3,(H2,22,25)/b23-21-
InChIKeyIFDPBVISCCYRRI-LNVKXUELSA-N
MW349.43 g/mol
LogP3.92
Rot. Bonds5

About 7-(diethylamino)-2-(2-methylphenyl)iminochromene-3-carboxamide

7-(diethylamino)-2-(2-methylphenyl)iminochromene-3-carboxamide (PubChem CID 4038496) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 7-(diethylamino)-2-(2-methylphenyl)iminochromene-3-carboxamide.

Molecular Properties

Compound Name7-(diethylamino)-2-(2-methylphenyl)iminochromene-3-carboxamide
PubChem CID4038496
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name7-(diethylamino)-2-(2-methylphenyl)iminochromene-3-carboxamide
SMILESCCN(CC)c1ccc2cc(C(N)=O)/c(=N/c3ccccc3C)oc2c1
InChIInChI=1S/C21H23N3O2/c1-4-24(5-2)16-11-10-15-12-17(20(22)25)21(26-19(15)13-16)23-18-9-7-6-8-14(18)3/h6-13H,4-5H2,1-3H3,(H2,22,25)/b23-21-
InChIKeyIFDPBVISCCYRRI-LNVKXUELSA-N
XLogP3.92
TPSA71.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-2-(2-methylphenyl)iminochromene-3-carboxamide?
The IUPAC name of 7-(diethylamino)-2-(2-methylphenyl)iminochromene-3-carboxamide (CID 4038496) is 7-(diethylamino)-2-(2-methylphenyl)iminochromene-3-carboxamide.
What is the SMILES notation for 7-(diethylamino)-2-(2-methylphenyl)iminochromene-3-carboxamide?
The canonical SMILES for 7-(diethylamino)-2-(2-methylphenyl)iminochromene-3-carboxamide is CCN(CC)c1ccc2cc(C(N)=O)/c(=N/c3ccccc3C)oc2c1.
What is the InChIKey of 7-(diethylamino)-2-(2-methylphenyl)iminochromene-3-carboxamide?
The InChIKey is IFDPBVISCCYRRI-LNVKXUELSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-4-24(5-2)16-11-10-15-12-17(20(22)25)21(26-19(15)13-16)23-18-9-7-6-8-14(18)3/h6-13H,4-5H2,1-3H3,(H2,22,25)/b23-21-.
What are the key properties of 7-(diethylamino)-2-(2-methylphenyl)iminochromene-3-carboxamide?
7-(diethylamino)-2-(2-methylphenyl)iminochromene-3-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-2-(2-methylphenyl)iminochromene-3-carboxamide is sourced from PubChem (CID 4038496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).