8-(1-aminoethyl)-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide

C18H23N3O4 — CID 58234976

IUPAC8-(1-aminoethyl)-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
SMILESCC(N)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12
InChIInChI=1S/C18H23N3O4/c1-11(19)13-8-12(18(23)20(2)3)9-14-15(22)10-16(25-17(13)14)21-4-6-24-7-5-21/h8-11H,4-7,19H2,1-3H3
InChIKeyUNGLSSDHOGUALJ-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.35
Rot. Bonds3

About 8-(1-aminoethyl)-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide

8-(1-aminoethyl)-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide (PubChem CID 58234976) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 8-(1-aminoethyl)-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide.

Molecular Properties

Compound Name8-(1-aminoethyl)-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
PubChem CID58234976
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name8-(1-aminoethyl)-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
SMILESCC(N)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12
InChIInChI=1S/C18H23N3O4/c1-11(19)13-8-12(18(23)20(2)3)9-14-15(22)10-16(25-17(13)14)21-4-6-24-7-5-21/h8-11H,4-7,19H2,1-3H3
InChIKeyUNGLSSDHOGUALJ-UHFFFAOYSA-N
XLogP1.35
TPSA89.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(1-aminoethyl)-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
The IUPAC name of 8-(1-aminoethyl)-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide (CID 58234976) is 8-(1-aminoethyl)-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide.
What is the SMILES notation for 8-(1-aminoethyl)-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
The canonical SMILES for 8-(1-aminoethyl)-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide is CC(N)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12.
What is the InChIKey of 8-(1-aminoethyl)-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
The InChIKey is UNGLSSDHOGUALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-11(19)13-8-12(18(23)20(2)3)9-14-15(22)10-16(25-17(13)14)21-4-6-24-7-5-21/h8-11H,4-7,19H2,1-3H3.
What are the key properties of 8-(1-aminoethyl)-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
8-(1-aminoethyl)-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-aminoethyl)-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide is sourced from PubChem (CID 58234976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).