1-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide

C25H24N4O4 — CID 6217319

IUPAC1-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc2c([nH]c3ccccc32)c(-c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C25H24N4O4/c30-25(26-7-8-29-9-11-31-12-10-29)20-14-18-17-3-1-2-4-19(17)27-24(18)23(28-20)16-5-6-21-22(13-16)33-15-32-21/h1-6,13-14,27H,7-12,15H2,(H,26,30)
InChIKeyFODFHIUGZCOWBQ-UHFFFAOYSA-N
MW444.49 g/mol
LogP3.17
Rot. Bonds5

About 1-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide

1-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide (PubChem CID 6217319) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide
PubChem CID6217319
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc2c([nH]c3ccccc32)c(-c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C25H24N4O4/c30-25(26-7-8-29-9-11-31-12-10-29)20-14-18-17-3-1-2-4-19(17)27-24(18)23(28-20)16-5-6-21-22(13-16)33-15-32-21/h1-6,13-14,27H,7-12,15H2,(H,26,30)
InChIKeyFODFHIUGZCOWBQ-UHFFFAOYSA-N
XLogP3.17
TPSA88.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,3-benzodioxol-5-yl)-N-[(E)-[4-(hydroxycarbamoyl)phenyl]methylideneamino]-9H-pyrido[3,4-b]indole-3-carboxamide
CID 78426902
6-N-(1,3-benzodioxol-5-yl)-2-N-(2-morpholin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109096496
3-(1,3-benzodioxol-5-yl)-6-methyl-N-(2-morpholin-4-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 19616140
N-[2-(dimethylamino)ethyl]-1-(4-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride
CID 166760645
6-(1,3-benzodioxol-5-ylamino)-2-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109366542
5-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1124578
2-(1,3-benzodioxol-5-yl)-N-(2-piperazin-1-ylethyl)-1,3-thiazole-4-carboxamide
CID 119446990
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
2-(1,3-benzodioxole-5-carbonylamino)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide
CID 46113996
2-(1,3-benzodioxol-5-ylmethylamino)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide
CID 117082905
N-(2-morpholin-4-ylethyl)-6-oxo-5H-phenanthridine-3-carboxamide
CID 10132635
1-phenyl-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]-9H-pyrido[3,4-b]indole-3-carboxamide
CID 118717426

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide (CID 6217319) is 1-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide is O=C(NCCN1CCOCC1)c1cc2c([nH]c3ccccc32)c(-c2ccc3c(c2)OCO3)n1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide?
The InChIKey is FODFHIUGZCOWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4/c30-25(26-7-8-29-9-11-31-12-10-29)20-14-18-17-3-1-2-4-19(17)27-24(18)23(28-20)16-5-6-21-22(13-16)33-15-32-21/h1-6,13-14,27H,7-12,15H2,(H,26,30).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide?
1-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide has a molecular weight of 444.49 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide is sourced from PubChem (CID 6217319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).