N-formyl-4-methyl-6-(2-morpholin-4-ylethoxy)-1,2,3,3a,10,10b-hexahydrocyclopenta[a]carbazole-5-carboxamide

C24H29N3O4 — CID 143599693

IUPACN-formyl-4-methyl-6-(2-morpholin-4-ylethoxy)-1,2,3,3a,10,10b-hexahydrocyclopenta[a]carbazole-5-carboxamide
SMILESCC1=C(C(=O)NC=O)c2c([nH]c3cccc(OCCN4CCOCC4)c23)C2CCCC12
InChIInChI=1S/C24H29N3O4/c1-15-16-4-2-5-17(16)23-22(20(15)24(29)25-14-28)21-18(26-23)6-3-7-19(21)31-13-10-27-8-11-30-12-9-27/h3,6-7,14,16-17,26H,2,4-5,8-13H2,1H3,(H,25,28,29)
InChIKeyOJWQKPVCRTYTMN-UHFFFAOYSA-N
MW423.51 g/mol
LogP2.82
Rot. Bonds6

About N-formyl-4-methyl-6-(2-morpholin-4-ylethoxy)-1,2,3,3a,10,10b-hexahydrocyclopenta[a]carbazole-5-carboxamide

N-formyl-4-methyl-6-(2-morpholin-4-ylethoxy)-1,2,3,3a,10,10b-hexahydrocyclopenta[a]carbazole-5-carboxamide (PubChem CID 143599693) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is N-formyl-4-methyl-6-(2-morpholin-4-ylethoxy)-1,2,3,3a,10,10b-hexahydrocyclopenta[a]carbazole-5-carboxamide.

Molecular Properties

Compound NameN-formyl-4-methyl-6-(2-morpholin-4-ylethoxy)-1,2,3,3a,10,10b-hexahydrocyclopenta[a]carbazole-5-carboxamide
PubChem CID143599693
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC NameN-formyl-4-methyl-6-(2-morpholin-4-ylethoxy)-1,2,3,3a,10,10b-hexahydrocyclopenta[a]carbazole-5-carboxamide
SMILESCC1=C(C(=O)NC=O)c2c([nH]c3cccc(OCCN4CCOCC4)c23)C2CCCC12
InChIInChI=1S/C24H29N3O4/c1-15-16-4-2-5-17(16)23-22(20(15)24(29)25-14-28)21-18(26-23)6-3-7-19(21)31-13-10-27-8-11-30-12-9-27/h3,6-7,14,16-17,26H,2,4-5,8-13H2,1H3,(H,25,28,29)
InChIKeyOJWQKPVCRTYTMN-UHFFFAOYSA-N
XLogP2.82
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-5-(2-morpholin-4-ylethoxy)fluoren-9-one
CID 19594681
formamide;2-(methylamino)-5-[2-(2-morpholin-4-ylethoxy)phenyl]-1H-pyrrole-3-carboxamide
CID 145464614
2-[2-(1,4-oxazepan-4-yl)ethoxy]benzoic acid
CID 55134744
2-methyl-1-[2-(2-morpholin-4-ylethoxy)phenyl]propan-1-one
CID 118041363
2-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]benzamide;dihydrochloride
CID 119946846
ethane;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 144752549
2-[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 58278728
3-[2-[3-[2-(3-carboxy-2-hydroxyphenoxy)ethyl]-1,6-dioxa-3,9-diazacycloundec-9-yl]ethoxy]-2-hydroxybenzoic acid
CID 101400473
4-(3-morpholin-4-ylpropoxy)-5-propoxy-9H-fluorene-9-carbaldehyde
CID 174370895
4-[6-(2-methylphenoxy)hexyl]morpholine
CID 5114307
N,N-dimethyl-2-(2-morpholin-4-ylethoxy)aniline
CID 147491623
N-(4-chloro-3-methylphenyl)-2-methyl-6-(2-morpholin-4-ylethoxy)benzamide
CID 134195679

Frequently Asked Questions

What is the IUPAC name of N-formyl-4-methyl-6-(2-morpholin-4-ylethoxy)-1,2,3,3a,10,10b-hexahydrocyclopenta[a]carbazole-5-carboxamide?
The IUPAC name of N-formyl-4-methyl-6-(2-morpholin-4-ylethoxy)-1,2,3,3a,10,10b-hexahydrocyclopenta[a]carbazole-5-carboxamide (CID 143599693) is N-formyl-4-methyl-6-(2-morpholin-4-ylethoxy)-1,2,3,3a,10,10b-hexahydrocyclopenta[a]carbazole-5-carboxamide.
What is the SMILES notation for N-formyl-4-methyl-6-(2-morpholin-4-ylethoxy)-1,2,3,3a,10,10b-hexahydrocyclopenta[a]carbazole-5-carboxamide?
The canonical SMILES for N-formyl-4-methyl-6-(2-morpholin-4-ylethoxy)-1,2,3,3a,10,10b-hexahydrocyclopenta[a]carbazole-5-carboxamide is CC1=C(C(=O)NC=O)c2c([nH]c3cccc(OCCN4CCOCC4)c23)C2CCCC12.
What is the InChIKey of N-formyl-4-methyl-6-(2-morpholin-4-ylethoxy)-1,2,3,3a,10,10b-hexahydrocyclopenta[a]carbazole-5-carboxamide?
The InChIKey is OJWQKPVCRTYTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-15-16-4-2-5-17(16)23-22(20(15)24(29)25-14-28)21-18(26-23)6-3-7-19(21)31-13-10-27-8-11-30-12-9-27/h3,6-7,14,16-17,26H,2,4-5,8-13H2,1H3,(H,25,28,29).
What are the key properties of N-formyl-4-methyl-6-(2-morpholin-4-ylethoxy)-1,2,3,3a,10,10b-hexahydrocyclopenta[a]carbazole-5-carboxamide?
N-formyl-4-methyl-6-(2-morpholin-4-ylethoxy)-1,2,3,3a,10,10b-hexahydrocyclopenta[a]carbazole-5-carboxamide has a molecular weight of 423.51 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-4-methyl-6-(2-morpholin-4-ylethoxy)-1,2,3,3a,10,10b-hexahydrocyclopenta[a]carbazole-5-carboxamide is sourced from PubChem (CID 143599693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).