10-(1,3-benzodioxol-5-yl)-1-methyl-N-(2-morpholin-4-ylethyl)-9,10-dihydro-4H-indolizino[6,7-b]indole-3-carboxamide

C29H30N4O4 — CID 10278552

IUPAC10-(1,3-benzodioxol-5-yl)-1-methyl-N-(2-morpholin-4-ylethyl)-9,10-dihydro-4H-indolizino[6,7-b]indole-3-carboxamide
SMILESCc1cc(C(=O)NCCN2CCOCC2)c2n1C(c1ccc3c(c1)OCO3)c1[nH]c3ccccc3c1C2
InChIInChI=1S/C29H30N4O4/c1-18-14-22(29(34)30-8-9-32-10-12-35-13-11-32)24-16-21-20-4-2-3-5-23(20)31-27(21)28(33(18)24)19-6-7-25-26(15-19)37-17-36-25/h2-7,14-15,28,31H,8-13,16-17H2,1H3,(H,30,34)
InChIKeySJPCAMCRLVVREU-UHFFFAOYSA-N
MW498.58 g/mol
LogP3.61
Rot. Bonds5

About 10-(1,3-benzodioxol-5-yl)-1-methyl-N-(2-morpholin-4-ylethyl)-9,10-dihydro-4H-indolizino[6,7-b]indole-3-carboxamide

10-(1,3-benzodioxol-5-yl)-1-methyl-N-(2-morpholin-4-ylethyl)-9,10-dihydro-4H-indolizino[6,7-b]indole-3-carboxamide (PubChem CID 10278552) has the molecular formula C29H30N4O4 and a molecular weight of 498.58 g/mol. Its IUPAC name is 10-(1,3-benzodioxol-5-yl)-1-methyl-N-(2-morpholin-4-ylethyl)-9,10-dihydro-4H-indolizino[6,7-b]indole-3-carboxamide.

Molecular Properties

Compound Name10-(1,3-benzodioxol-5-yl)-1-methyl-N-(2-morpholin-4-ylethyl)-9,10-dihydro-4H-indolizino[6,7-b]indole-3-carboxamide
PubChem CID10278552
Molecular FormulaC29H30N4O4
Molecular Weight498.58 g/mol
Exact Mass498.23
IUPAC Name10-(1,3-benzodioxol-5-yl)-1-methyl-N-(2-morpholin-4-ylethyl)-9,10-dihydro-4H-indolizino[6,7-b]indole-3-carboxamide
SMILESCc1cc(C(=O)NCCN2CCOCC2)c2n1C(c1ccc3c(c1)OCO3)c1[nH]c3ccccc3c1C2
InChIInChI=1S/C29H30N4O4/c1-18-14-22(29(34)30-8-9-32-10-12-35-13-11-32)24-16-21-20-4-2-3-5-23(20)31-27(21)28(33(18)24)19-6-7-25-26(15-19)37-17-36-25/h2-7,14-15,28,31H,8-13,16-17H2,1H3,(H,30,34)
InChIKeySJPCAMCRLVVREU-UHFFFAOYSA-N
XLogP3.61
TPSA80.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

diethyl 10-(1,3-benzodioxol-5-yl)-1-methyl-9,10-dihydro-4H-indolizino[6,7-b]indole-2,3-dicarboxylate
CID 10277859
ethyl 10-(1,3-benzodioxol-5-yl)-1-ethyl-9,10-dihydro-4H-indolizino[6,7-b]indole-3-carboxylate
CID 10180975
(1S,3R)-1-(1,3-benzodioxol-5-yl)-N-(3-morpholin-4-ylpropyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide
CID 10226618
1-[(1R)-1-(1,3-benzodioxol-5-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-chloroethanone
CID 143547397
5-[(10R)-10-(1,3-benzodioxol-5-yl)-3-cyano-1-methyl-9,10-dihydro-4H-indolizino[6,7-b]indol-2-yl]pentanoic acid
CID 10205263
1-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide
CID 6217319
[(1S)-1-(1,3-benzodioxol-5-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-methylphenyl)methanone
CID 1278097
ethyl 10-(1,3-benzodioxol-5-yl)-9,10-dihydro-4H-indolizino[6,7-b]indole-2-carboxylate
CID 10294405
2-[(10R,15S)-10-(4-fluorophenyl)-12,14-dioxo-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-13-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 93472889
1-[1-(1,3-benzodioxol-5-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-3-phenylpropan-1-one
CID 10137169
[1-(1,3-benzodioxol-5-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methylphenyl)methanone
CID 4273990
1-(1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide
CID 10298201

Frequently Asked Questions

What is the IUPAC name of 10-(1,3-benzodioxol-5-yl)-1-methyl-N-(2-morpholin-4-ylethyl)-9,10-dihydro-4H-indolizino[6,7-b]indole-3-carboxamide?
The IUPAC name of 10-(1,3-benzodioxol-5-yl)-1-methyl-N-(2-morpholin-4-ylethyl)-9,10-dihydro-4H-indolizino[6,7-b]indole-3-carboxamide (CID 10278552) is 10-(1,3-benzodioxol-5-yl)-1-methyl-N-(2-morpholin-4-ylethyl)-9,10-dihydro-4H-indolizino[6,7-b]indole-3-carboxamide.
What is the SMILES notation for 10-(1,3-benzodioxol-5-yl)-1-methyl-N-(2-morpholin-4-ylethyl)-9,10-dihydro-4H-indolizino[6,7-b]indole-3-carboxamide?
The canonical SMILES for 10-(1,3-benzodioxol-5-yl)-1-methyl-N-(2-morpholin-4-ylethyl)-9,10-dihydro-4H-indolizino[6,7-b]indole-3-carboxamide is Cc1cc(C(=O)NCCN2CCOCC2)c2n1C(c1ccc3c(c1)OCO3)c1[nH]c3ccccc3c1C2.
What is the InChIKey of 10-(1,3-benzodioxol-5-yl)-1-methyl-N-(2-morpholin-4-ylethyl)-9,10-dihydro-4H-indolizino[6,7-b]indole-3-carboxamide?
The InChIKey is SJPCAMCRLVVREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O4/c1-18-14-22(29(34)30-8-9-32-10-12-35-13-11-32)24-16-21-20-4-2-3-5-23(20)31-27(21)28(33(18)24)19-6-7-25-26(15-19)37-17-36-25/h2-7,14-15,28,31H,8-13,16-17H2,1H3,(H,30,34).
What are the key properties of 10-(1,3-benzodioxol-5-yl)-1-methyl-N-(2-morpholin-4-ylethyl)-9,10-dihydro-4H-indolizino[6,7-b]indole-3-carboxamide?
10-(1,3-benzodioxol-5-yl)-1-methyl-N-(2-morpholin-4-ylethyl)-9,10-dihydro-4H-indolizino[6,7-b]indole-3-carboxamide has a molecular weight of 498.58 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1,3-benzodioxol-5-yl)-1-methyl-N-(2-morpholin-4-ylethyl)-9,10-dihydro-4H-indolizino[6,7-b]indole-3-carboxamide is sourced from PubChem (CID 10278552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).