8-[(1S)-1-hydroxyethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide

C18H22N2O5 — CID 124565057

IUPAC8-[(1S)-1-hydroxyethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
SMILESC[C@H](O)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12
InChIInChI=1S/C18H22N2O5/c1-11(21)13-8-12(18(23)19(2)3)9-14-15(22)10-16(25-17(13)14)20-4-6-24-7-5-20/h8-11,21H,4-7H2,1-3H3/t11-/m0/s1
InChIKeyRJCWTZOIDCLTCK-NSHDSACASA-N
MW346.38 g/mol
LogP1.38
Rot. Bonds3

About 8-[(1S)-1-hydroxyethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide

8-[(1S)-1-hydroxyethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide (PubChem CID 124565057) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is 8-[(1S)-1-hydroxyethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide.

Molecular Properties

Compound Name8-[(1S)-1-hydroxyethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
PubChem CID124565057
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name8-[(1S)-1-hydroxyethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
SMILESC[C@H](O)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12
InChIInChI=1S/C18H22N2O5/c1-11(21)13-8-12(18(23)19(2)3)9-14-15(22)10-16(25-17(13)14)20-4-6-24-7-5-20/h8-11,21H,4-7H2,1-3H3/t11-/m0/s1
InChIKeyRJCWTZOIDCLTCK-NSHDSACASA-N
XLogP1.38
TPSA83.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[(1S)-1-hydroxyethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
The IUPAC name of 8-[(1S)-1-hydroxyethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide (CID 124565057) is 8-[(1S)-1-hydroxyethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide.
What is the SMILES notation for 8-[(1S)-1-hydroxyethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
The canonical SMILES for 8-[(1S)-1-hydroxyethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide is C[C@H](O)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12.
What is the InChIKey of 8-[(1S)-1-hydroxyethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
The InChIKey is RJCWTZOIDCLTCK-NSHDSACASA-N. The full InChI is InChI=1S/C18H22N2O5/c1-11(21)13-8-12(18(23)19(2)3)9-14-15(22)10-16(25-17(13)14)20-4-6-24-7-5-20/h8-11,21H,4-7H2,1-3H3/t11-/m0/s1.
What are the key properties of 8-[(1S)-1-hydroxyethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
8-[(1S)-1-hydroxyethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide has a molecular weight of 346.38 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1S)-1-hydroxyethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide is sourced from PubChem (CID 124565057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).