1-(1H-indole-3-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]-9H-pyrido[3,4-b]indole-3-carboxamide

C30H24N4O3 — CID 155565117

IUPAC1-(1H-indole-3-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cc3c([nH]c4ccccc43)c(C(=O)c3c[nH]c4ccccc34)n2)c1
InChIInChI=1S/C30H24N4O3/c1-37-19-8-6-7-18(15-19)13-14-31-30(36)26-16-22-20-9-3-5-12-25(20)33-27(22)28(34-26)29(35)23-17-32-24-11-4-2-10-21(23)24/h2-12,15-17,32-33H,13-14H2,1H3,(H,31,36)
InChIKeyZYFSLHPHVNDRJF-UHFFFAOYSA-N
MW488.55 g/mol
LogP5.41
Rot. Bonds7

About 1-(1H-indole-3-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]-9H-pyrido[3,4-b]indole-3-carboxamide

1-(1H-indole-3-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]-9H-pyrido[3,4-b]indole-3-carboxamide (PubChem CID 155565117) has the molecular formula C30H24N4O3 and a molecular weight of 488.55 g/mol. Its IUPAC name is 1-(1H-indole-3-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]-9H-pyrido[3,4-b]indole-3-carboxamide.

Molecular Properties

Compound Name1-(1H-indole-3-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]-9H-pyrido[3,4-b]indole-3-carboxamide
PubChem CID155565117
Molecular FormulaC30H24N4O3
Molecular Weight488.55 g/mol
Exact Mass488.18
IUPAC Name1-(1H-indole-3-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cc3c([nH]c4ccccc43)c(C(=O)c3c[nH]c4ccccc34)n2)c1
InChIInChI=1S/C30H24N4O3/c1-37-19-8-6-7-18(15-19)13-14-31-30(36)26-16-22-20-9-3-5-12-25(20)33-27(22)28(34-26)29(35)23-17-32-24-11-4-2-10-21(23)24/h2-12,15-17,32-33H,13-14H2,1H3,(H,31,36)
InChIKeyZYFSLHPHVNDRJF-UHFFFAOYSA-N
XLogP5.41
TPSA99.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.55
LogP ≤ 55.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 11504245
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CID 5331095
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CID 23647542
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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indole-3-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]-9H-pyrido[3,4-b]indole-3-carboxamide?
The IUPAC name of 1-(1H-indole-3-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]-9H-pyrido[3,4-b]indole-3-carboxamide (CID 155565117) is 1-(1H-indole-3-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]-9H-pyrido[3,4-b]indole-3-carboxamide.
What is the SMILES notation for 1-(1H-indole-3-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]-9H-pyrido[3,4-b]indole-3-carboxamide?
The canonical SMILES for 1-(1H-indole-3-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]-9H-pyrido[3,4-b]indole-3-carboxamide is COc1cccc(CCNC(=O)c2cc3c([nH]c4ccccc43)c(C(=O)c3c[nH]c4ccccc34)n2)c1.
What is the InChIKey of 1-(1H-indole-3-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]-9H-pyrido[3,4-b]indole-3-carboxamide?
The InChIKey is ZYFSLHPHVNDRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N4O3/c1-37-19-8-6-7-18(15-19)13-14-31-30(36)26-16-22-20-9-3-5-12-25(20)33-27(22)28(34-26)29(35)23-17-32-24-11-4-2-10-21(23)24/h2-12,15-17,32-33H,13-14H2,1H3,(H,31,36).
What are the key properties of 1-(1H-indole-3-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]-9H-pyrido[3,4-b]indole-3-carboxamide?
1-(1H-indole-3-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]-9H-pyrido[3,4-b]indole-3-carboxamide has a molecular weight of 488.55 g/mol, XLogP of 5.41, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indole-3-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]-9H-pyrido[3,4-b]indole-3-carboxamide is sourced from PubChem (CID 155565117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).