7-methyl-4-[[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]methyl]chromen-2-one

C23H26N2O3 — CID 25482662

IUPAC7-methyl-4-[[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]methyl]chromen-2-one
SMILESCc1ccc2c(CN(C)Cc3ccccc3N3CCOCC3)cc(=O)oc2c1
InChIInChI=1S/C23H26N2O3/c1-17-7-8-20-19(14-23(26)28-22(20)13-17)16-24(2)15-18-5-3-4-6-21(18)25-9-11-27-12-10-25/h3-8,13-14H,9-12,15-16H2,1-2H3
InChIKeyRZTAVYCKVNFOLL-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.57
Rot. Bonds5

About 7-methyl-4-[[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]methyl]chromen-2-one

7-methyl-4-[[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]methyl]chromen-2-one (PubChem CID 25482662) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 7-methyl-4-[[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]methyl]chromen-2-one.

Molecular Properties

Compound Name7-methyl-4-[[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]methyl]chromen-2-one
PubChem CID25482662
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name7-methyl-4-[[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]methyl]chromen-2-one
SMILESCc1ccc2c(CN(C)Cc3ccccc3N3CCOCC3)cc(=O)oc2c1
InChIInChI=1S/C23H26N2O3/c1-17-7-8-20-19(14-23(26)28-22(20)13-17)16-24(2)15-18-5-3-4-6-21(18)25-9-11-27-12-10-25/h3-8,13-14H,9-12,15-16H2,1-2H3
InChIKeyRZTAVYCKVNFOLL-UHFFFAOYSA-N
XLogP3.57
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

7-methyl-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]chromen-2-one
CID 18086300
4-[[(4-ethylphenyl)methyl-methylamino]methyl]-7-methylchromen-2-one
CID 27205990
4-[[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methylamino]methyl]-7-methylchromen-2-one
CID 18094567
N-[(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)methyl]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine
CID 92626603
7-hydroxy-4-[[(2-hydroxyphenyl)methyl-methylamino]methyl]chromen-2-one
CID 154798950
4-[[2-hydroxypropyl(methyl)amino]methyl]-7-methylchromen-2-one
CID 55061028
4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-7-methylchromen-2-one
CID 41180251
methyl 3-methyl-5-[[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]methyl]furan-2-carboxylate
CID 33196612
(7-methyl-2-oxochromen-4-yl)methyl 2-morpholin-4-ylpyridine-3-carboxylate
CID 27045422
7-methyl-4-(methylaminomethyl)chromen-2-one
CID 27153679
7-methyl-4-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one
CID 27762512
(2S)-N-(2,4-dimethylphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 25468215

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-[[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]methyl]chromen-2-one?
The IUPAC name of 7-methyl-4-[[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]methyl]chromen-2-one (CID 25482662) is 7-methyl-4-[[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]methyl]chromen-2-one.
What is the SMILES notation for 7-methyl-4-[[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]methyl]chromen-2-one?
The canonical SMILES for 7-methyl-4-[[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]methyl]chromen-2-one is Cc1ccc2c(CN(C)Cc3ccccc3N3CCOCC3)cc(=O)oc2c1.
What is the InChIKey of 7-methyl-4-[[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]methyl]chromen-2-one?
The InChIKey is RZTAVYCKVNFOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-17-7-8-20-19(14-23(26)28-22(20)13-17)16-24(2)15-18-5-3-4-6-21(18)25-9-11-27-12-10-25/h3-8,13-14H,9-12,15-16H2,1-2H3.
What are the key properties of 7-methyl-4-[[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]methyl]chromen-2-one?
7-methyl-4-[[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]methyl]chromen-2-one has a molecular weight of 378.47 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-[[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]methyl]chromen-2-one is sourced from PubChem (CID 25482662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).