6-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxochromene-2-carboxamide

C22H21ClN2O4 — CID 18775293

IUPAC6-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxochromene-2-carboxamide
SMILESO=C(NCc1ccc(CN2CCOCC2)cc1)c1cc(=O)c2cc(Cl)ccc2o1
InChIInChI=1S/C22H21ClN2O4/c23-17-5-6-20-18(11-17)19(26)12-21(29-20)22(27)24-13-15-1-3-16(4-2-15)14-25-7-9-28-10-8-25/h1-6,11-12H,7-10,13-14H2,(H,24,27)
InChIKeyRKDQEOYAIOCQME-UHFFFAOYSA-N
MW412.87 g/mol
LogP3.21
Rot. Bonds5

About 6-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxochromene-2-carboxamide

6-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxochromene-2-carboxamide (PubChem CID 18775293) has the molecular formula C22H21ClN2O4 and a molecular weight of 412.87 g/mol. Its IUPAC name is 6-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxochromene-2-carboxamide
PubChem CID18775293
Molecular FormulaC22H21ClN2O4
Molecular Weight412.87 g/mol
Exact Mass412.12
IUPAC Name6-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxochromene-2-carboxamide
SMILESO=C(NCc1ccc(CN2CCOCC2)cc1)c1cc(=O)c2cc(Cl)ccc2o1
InChIInChI=1S/C22H21ClN2O4/c23-17-5-6-20-18(11-17)19(26)12-21(29-20)22(27)24-13-15-1-3-16(4-2-15)14-25-7-9-28-10-8-25/h1-6,11-12H,7-10,13-14H2,(H,24,27)
InChIKeyRKDQEOYAIOCQME-UHFFFAOYSA-N
XLogP3.21
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.87
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-4-oxo-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]chromene-2-carboxamide
CID 8546439
5-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]furan-2-carboxamide
CID 29475175
5-bromo-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 78868141
6-chloro-N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-4-oxochromene-2-carboxamide
CID 45155230
6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-4-oxochromene-2-carboxamide
CID 9481083
5-amino-2-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 120640346
N-benzyl-4-(morpholin-4-ylmethyl)benzamide
CID 786772
5-chloro-3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 55381019
6-chloro-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide
CID 9068735
6-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 18473163
N-[(4-chlorophenyl)methyl]-2-(3-hydroxypropyl)-6-(morpholin-4-ylmethyl)-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,10-pentaene-11-carboxamide
CID 91491691
3,4-dimethyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17397484

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxochromene-2-carboxamide?
The IUPAC name of 6-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxochromene-2-carboxamide (CID 18775293) is 6-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for 6-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxochromene-2-carboxamide is O=C(NCc1ccc(CN2CCOCC2)cc1)c1cc(=O)c2cc(Cl)ccc2o1.
What is the InChIKey of 6-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxochromene-2-carboxamide?
The InChIKey is RKDQEOYAIOCQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O4/c23-17-5-6-20-18(11-17)19(26)12-21(29-20)22(27)24-13-15-1-3-16(4-2-15)14-25-7-9-28-10-8-25/h1-6,11-12H,7-10,13-14H2,(H,24,27).
What are the key properties of 6-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxochromene-2-carboxamide?
6-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxochromene-2-carboxamide has a molecular weight of 412.87 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 18775293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).