14-methyl-5-(morpholine-4-carbonyl)-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one

C17H20N4O3 — CID 4102050

IUPAC14-methyl-5-(morpholine-4-carbonyl)-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one
SMILESCc1cccc2nc3c(c(=O)n12)CN(C(=O)N1CCOCC1)CC3
InChIInChI=1S/C17H20N4O3/c1-12-3-2-4-15-18-14-5-6-20(11-13(14)16(22)21(12)15)17(23)19-7-9-24-10-8-19/h2-4H,5-11H2,1H3
InChIKeyIDHKJXDQQBDNDR-UHFFFAOYSA-N
MW328.37 g/mol
LogP0.81
Rot. Bonds

About 14-methyl-5-(morpholine-4-carbonyl)-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one

14-methyl-5-(morpholine-4-carbonyl)-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one (PubChem CID 4102050) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 14-methyl-5-(morpholine-4-carbonyl)-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one.

Molecular Properties

Compound Name14-methyl-5-(morpholine-4-carbonyl)-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one
PubChem CID4102050
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name14-methyl-5-(morpholine-4-carbonyl)-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one
SMILESCc1cccc2nc3c(c(=O)n12)CN(C(=O)N1CCOCC1)CC3
InChIInChI=1S/C17H20N4O3/c1-12-3-2-4-15-18-14-5-6-20(11-13(14)16(22)21(12)15)17(23)19-7-9-24-10-8-19/h2-4H,5-11H2,1H3
InChIKeyIDHKJXDQQBDNDR-UHFFFAOYSA-N
XLogP0.81
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 14-methyl-5-(morpholine-4-carbonyl)-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one with MolForge

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Related Compounds

11-methyl-5-(morpholine-4-carbonyl)-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one
CID 3701216
14-methyl-2-oxo-N-phenyl-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carbothioamide
CID 4205477
N-(4-chlorophenyl)-14-methyl-2-oxo-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carbothioamide
CID 3881437
3,6-dimethyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 175524753
morpholin-4-yl-(2-phenyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 3607547
(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-4-ylmethanone
CID 79152246
1-[2-[(3-methylphenyl)methyl]-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 7338939
(3-fluorophenyl)-(2-methyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 7410463
4-[5-(morpholine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid
CID 91767992
2-[(3-methylphenyl)methyl]-4-morpholin-4-yl-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42785892
5-[(Z)-2-methyl-3-phenylprop-2-enoyl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one
CID 91818310
(2-methyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-(4-phenylphenyl)methanone
CID 7361589

Frequently Asked Questions

What is the IUPAC name of 14-methyl-5-(morpholine-4-carbonyl)-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one?
The IUPAC name of 14-methyl-5-(morpholine-4-carbonyl)-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one (CID 4102050) is 14-methyl-5-(morpholine-4-carbonyl)-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one.
What is the SMILES notation for 14-methyl-5-(morpholine-4-carbonyl)-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one?
The canonical SMILES for 14-methyl-5-(morpholine-4-carbonyl)-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one is Cc1cccc2nc3c(c(=O)n12)CN(C(=O)N1CCOCC1)CC3.
What is the InChIKey of 14-methyl-5-(morpholine-4-carbonyl)-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one?
The InChIKey is IDHKJXDQQBDNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-12-3-2-4-15-18-14-5-6-20(11-13(14)16(22)21(12)15)17(23)19-7-9-24-10-8-19/h2-4H,5-11H2,1H3.
What are the key properties of 14-methyl-5-(morpholine-4-carbonyl)-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one?
14-methyl-5-(morpholine-4-carbonyl)-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one has a molecular weight of 328.37 g/mol, XLogP of 0.81, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methyl-5-(morpholine-4-carbonyl)-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one is sourced from PubChem (CID 4102050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).