18-cyclohexyl-8-(2-morpholin-4-yl-2-oxoethyl)-8,11,13-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2,4,6,12(17),13,15-heptaene-14-carboxylic acid

C28H32N4O4 — CID 23152880

IUPAC18-cyclohexyl-8-(2-morpholin-4-yl-2-oxoethyl)-8,11,13-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2,4,6,12(17),13,15-heptaene-14-carboxylic acid
SMILESO=C(O)c1ccc2c(C3CCCCC3)c3n(c2n1)CCN(CC(=O)N1CCOCC1)c1ccccc1-3
InChIInChI=1S/C28H32N4O4/c33-24(30-14-16-36-17-15-30)18-31-12-13-32-26(20-8-4-5-9-23(20)31)25(19-6-2-1-3-7-19)21-10-11-22(28(34)35)29-27(21)32/h4-5,8-11,19H,1-3,6-7,12-18H2,(H,34,35)
InChIKeyWZDGPYOCEFSKOY-UHFFFAOYSA-N
MW488.59 g/mol
LogP4.13
Rot. Bonds4

About 18-cyclohexyl-8-(2-morpholin-4-yl-2-oxoethyl)-8,11,13-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2,4,6,12(17),13,15-heptaene-14-carboxylic acid

18-cyclohexyl-8-(2-morpholin-4-yl-2-oxoethyl)-8,11,13-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2,4,6,12(17),13,15-heptaene-14-carboxylic acid (PubChem CID 23152880) has the molecular formula C28H32N4O4 and a molecular weight of 488.59 g/mol. Its IUPAC name is 18-cyclohexyl-8-(2-morpholin-4-yl-2-oxoethyl)-8,11,13-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2,4,6,12(17),13,15-heptaene-14-carboxylic acid.

Molecular Properties

Compound Name18-cyclohexyl-8-(2-morpholin-4-yl-2-oxoethyl)-8,11,13-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2,4,6,12(17),13,15-heptaene-14-carboxylic acid
PubChem CID23152880
Molecular FormulaC28H32N4O4
Molecular Weight488.59 g/mol
Exact Mass488.24
IUPAC Name18-cyclohexyl-8-(2-morpholin-4-yl-2-oxoethyl)-8,11,13-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2,4,6,12(17),13,15-heptaene-14-carboxylic acid
SMILESO=C(O)c1ccc2c(C3CCCCC3)c3n(c2n1)CCN(CC(=O)N1CCOCC1)c1ccccc1-3
InChIInChI=1S/C28H32N4O4/c33-24(30-14-16-36-17-15-30)18-31-12-13-32-26(20-8-4-5-9-23(20)31)25(19-6-2-1-3-7-19)21-10-11-22(28(34)35)29-27(21)32/h4-5,8-11,19H,1-3,6-7,12-18H2,(H,34,35)
InChIKeyWZDGPYOCEFSKOY-UHFFFAOYSA-N
XLogP4.13
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 18-cyclohexyl-8-(2-morpholin-4-yl-2-oxoethyl)-8,11,13-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2,4,6,12(17),13,15-heptaene-14-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

1h-Pyrrolo[2,3-b]pyridine-6-carboxylic acid,3-cyclohexyl-1-methyl-2-phenyl-
CID 514293
3-Cyclohexyl-1-[2-(dimethylamino)-2-oxo-ethyl]-2-phenyl-pyrrolo[2,3-b]pyridine-6-carboxylic acid
CID 16072895
4-[8-Morpholin-4-yl-2-(3-quinolin-2-ylcyclobutyl)imidazo[1,2-a]pyrazin-5-yl]benzoic acid
CID 86345727
4-(8-Morpholino-2-(2-(quinolin-2-yl)ethyl)imidazo[1,2-a]pyrazin-5-yl)benzoic acid
CID 86345901
5-[8-Morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-2-carboxylic acid
CID 123133235
3-Cyclobutyl-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742219
3-Methyl-4-(4-morpholinophenyl)-1-phenyl-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid
CID 126742476
3-(Hydroxymethyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743063
4-(4-Morpholin-4-ylphenyl)-1-phenyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743680
6-(4-Phenanthridin-6-ylpiperazine-1-carbonyl)pyridine-2-carboxylic acid
CID 129906552
Methyl 3-[[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl-(2-morpholin-4-ylacetyl)amino]methyl]benzoate
CID 171343672
Methyl 3-[[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl-[2-(1,4-oxazepan-4-yl)acetyl]amino]methyl]benzoate
CID 171344013

Frequently Asked Questions

What is the IUPAC name of 18-cyclohexyl-8-(2-morpholin-4-yl-2-oxoethyl)-8,11,13-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2,4,6,12(17),13,15-heptaene-14-carboxylic acid?
The IUPAC name of 18-cyclohexyl-8-(2-morpholin-4-yl-2-oxoethyl)-8,11,13-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2,4,6,12(17),13,15-heptaene-14-carboxylic acid (CID 23152880) is 18-cyclohexyl-8-(2-morpholin-4-yl-2-oxoethyl)-8,11,13-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2,4,6,12(17),13,15-heptaene-14-carboxylic acid.
What is the SMILES notation for 18-cyclohexyl-8-(2-morpholin-4-yl-2-oxoethyl)-8,11,13-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2,4,6,12(17),13,15-heptaene-14-carboxylic acid?
The canonical SMILES for 18-cyclohexyl-8-(2-morpholin-4-yl-2-oxoethyl)-8,11,13-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2,4,6,12(17),13,15-heptaene-14-carboxylic acid is O=C(O)c1ccc2c(C3CCCCC3)c3n(c2n1)CCN(CC(=O)N1CCOCC1)c1ccccc1-3.
What is the InChIKey of 18-cyclohexyl-8-(2-morpholin-4-yl-2-oxoethyl)-8,11,13-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2,4,6,12(17),13,15-heptaene-14-carboxylic acid?
The InChIKey is WZDGPYOCEFSKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O4/c33-24(30-14-16-36-17-15-30)18-31-12-13-32-26(20-8-4-5-9-23(20)31)25(19-6-2-1-3-7-19)21-10-11-22(28(34)35)29-27(21)32/h4-5,8-11,19H,1-3,6-7,12-18H2,(H,34,35).
What are the key properties of 18-cyclohexyl-8-(2-morpholin-4-yl-2-oxoethyl)-8,11,13-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2,4,6,12(17),13,15-heptaene-14-carboxylic acid?
18-cyclohexyl-8-(2-morpholin-4-yl-2-oxoethyl)-8,11,13-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2,4,6,12(17),13,15-heptaene-14-carboxylic acid has a molecular weight of 488.59 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 18-cyclohexyl-8-(2-morpholin-4-yl-2-oxoethyl)-8,11,13-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2,4,6,12(17),13,15-heptaene-14-carboxylic acid is sourced from PubChem (CID 23152880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).