N-[2-(dimethylamino)ethyl]-8-(1-hydroxyethyl)-2-morpholin-4-yl-4-oxochromene-6-carboxamide

C20H27N3O5 — CID 58235055

IUPACN-[2-(dimethylamino)ethyl]-8-(1-hydroxyethyl)-2-morpholin-4-yl-4-oxochromene-6-carboxamide
SMILESCC(O)c1cc(C(=O)NCCN(C)C)cc2c(=O)cc(N3CCOCC3)oc12
InChIInChI=1S/C20H27N3O5/c1-13(24)15-10-14(20(26)21-4-5-22(2)3)11-16-17(25)12-18(28-19(15)16)23-6-8-27-9-7-23/h10-13,24H,4-9H2,1-3H3,(H,21,26)
InChIKeyZSXCQMCSTDNISX-UHFFFAOYSA-N
MW389.45 g/mol
LogP0.97
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-8-(1-hydroxyethyl)-2-morpholin-4-yl-4-oxochromene-6-carboxamide

N-[2-(dimethylamino)ethyl]-8-(1-hydroxyethyl)-2-morpholin-4-yl-4-oxochromene-6-carboxamide (PubChem CID 58235055) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-8-(1-hydroxyethyl)-2-morpholin-4-yl-4-oxochromene-6-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-8-(1-hydroxyethyl)-2-morpholin-4-yl-4-oxochromene-6-carboxamide
PubChem CID58235055
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC NameN-[2-(dimethylamino)ethyl]-8-(1-hydroxyethyl)-2-morpholin-4-yl-4-oxochromene-6-carboxamide
SMILESCC(O)c1cc(C(=O)NCCN(C)C)cc2c(=O)cc(N3CCOCC3)oc12
InChIInChI=1S/C20H27N3O5/c1-13(24)15-10-14(20(26)21-4-5-22(2)3)11-16-17(25)12-18(28-19(15)16)23-6-8-27-9-7-23/h10-13,24H,4-9H2,1-3H3,(H,21,26)
InChIKeyZSXCQMCSTDNISX-UHFFFAOYSA-N
XLogP0.97
TPSA95.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-8-(1-hydroxyethyl)-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-8-(1-hydroxyethyl)-2-morpholin-4-yl-4-oxochromene-6-carboxamide (CID 58235055) is N-[2-(dimethylamino)ethyl]-8-(1-hydroxyethyl)-2-morpholin-4-yl-4-oxochromene-6-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-8-(1-hydroxyethyl)-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-8-(1-hydroxyethyl)-2-morpholin-4-yl-4-oxochromene-6-carboxamide is CC(O)c1cc(C(=O)NCCN(C)C)cc2c(=O)cc(N3CCOCC3)oc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-8-(1-hydroxyethyl)-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
The InChIKey is ZSXCQMCSTDNISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5/c1-13(24)15-10-14(20(26)21-4-5-22(2)3)11-16-17(25)12-18(28-19(15)16)23-6-8-27-9-7-23/h10-13,24H,4-9H2,1-3H3,(H,21,26).
What are the key properties of N-[2-(dimethylamino)ethyl]-8-(1-hydroxyethyl)-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
N-[2-(dimethylamino)ethyl]-8-(1-hydroxyethyl)-2-morpholin-4-yl-4-oxochromene-6-carboxamide has a molecular weight of 389.45 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-8-(1-hydroxyethyl)-2-morpholin-4-yl-4-oxochromene-6-carboxamide is sourced from PubChem (CID 58235055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).