2-(3-chlorophenyl)-7-(morpholin-4-ylmethyl)-5H-pyrido[3,2-b]indole-4-carboxamide

C23H21ClN4O2 — CID 66604426

IUPAC2-(3-chlorophenyl)-7-(morpholin-4-ylmethyl)-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESNC(=O)c1cc(-c2cccc(Cl)c2)nc2c1[nH]c1cc(CN3CCOCC3)ccc12
InChIInChI=1S/C23H21ClN4O2/c24-16-3-1-2-15(11-16)19-12-18(23(25)29)22-21(26-19)17-5-4-14(10-20(17)27-22)13-28-6-8-30-9-7-28/h1-5,10-12,27H,6-9,13H2,(H2,25,29)
InChIKeyQAUBZVPXJJHKCL-UHFFFAOYSA-N
MW420.90 g/mol
LogP3.97
Rot. Bonds4

About 2-(3-chlorophenyl)-7-(morpholin-4-ylmethyl)-5H-pyrido[3,2-b]indole-4-carboxamide

2-(3-chlorophenyl)-7-(morpholin-4-ylmethyl)-5H-pyrido[3,2-b]indole-4-carboxamide (PubChem CID 66604426) has the molecular formula C23H21ClN4O2 and a molecular weight of 420.90 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-7-(morpholin-4-ylmethyl)-5H-pyrido[3,2-b]indole-4-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-7-(morpholin-4-ylmethyl)-5H-pyrido[3,2-b]indole-4-carboxamide
PubChem CID66604426
Molecular FormulaC23H21ClN4O2
Molecular Weight420.90 g/mol
Exact Mass420.14
IUPAC Name2-(3-chlorophenyl)-7-(morpholin-4-ylmethyl)-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESNC(=O)c1cc(-c2cccc(Cl)c2)nc2c1[nH]c1cc(CN3CCOCC3)ccc12
InChIInChI=1S/C23H21ClN4O2/c24-16-3-1-2-15(11-16)19-12-18(23(25)29)22-21(26-19)17-5-4-14(10-20(17)27-22)13-28-6-8-30-9-7-28/h1-5,10-12,27H,6-9,13H2,(H2,25,29)
InChIKeyQAUBZVPXJJHKCL-UHFFFAOYSA-N
XLogP3.97
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-7-(morpholin-4-ylmethyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-7-(morpholin-4-ylmethyl)-5H-pyrido[3,2-b]indole-4-carboxamide (CID 66604426) is 2-(3-chlorophenyl)-7-(morpholin-4-ylmethyl)-5H-pyrido[3,2-b]indole-4-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-7-(morpholin-4-ylmethyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-7-(morpholin-4-ylmethyl)-5H-pyrido[3,2-b]indole-4-carboxamide is NC(=O)c1cc(-c2cccc(Cl)c2)nc2c1[nH]c1cc(CN3CCOCC3)ccc12.
What is the InChIKey of 2-(3-chlorophenyl)-7-(morpholin-4-ylmethyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The InChIKey is QAUBZVPXJJHKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2/c24-16-3-1-2-15(11-16)19-12-18(23(25)29)22-21(26-19)17-5-4-14(10-20(17)27-22)13-28-6-8-30-9-7-28/h1-5,10-12,27H,6-9,13H2,(H2,25,29).
What are the key properties of 2-(3-chlorophenyl)-7-(morpholin-4-ylmethyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
2-(3-chlorophenyl)-7-(morpholin-4-ylmethyl)-5H-pyrido[3,2-b]indole-4-carboxamide has a molecular weight of 420.90 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-7-(morpholin-4-ylmethyl)-5H-pyrido[3,2-b]indole-4-carboxamide is sourced from PubChem (CID 66604426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).