7-(morpholine-4-carbonyl)-3-phenyl-9H-pyrido[3,4-b]indole-1-carboxamide

C23H20N4O3 — CID 66604530

IUPAC7-(morpholine-4-carbonyl)-3-phenyl-9H-pyrido[3,4-b]indole-1-carboxamide
SMILESNC(=O)c1nc(-c2ccccc2)cc2c1[nH]c1cc(C(=O)N3CCOCC3)ccc12
InChIInChI=1S/C23H20N4O3/c24-22(28)21-20-17(13-18(25-21)14-4-2-1-3-5-14)16-7-6-15(12-19(16)26-20)23(29)27-8-10-30-11-9-27/h1-7,12-13,26H,8-11H2,(H2,24,28)
InChIKeyHAVLDYOVNRFDQG-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.95
Rot. Bonds3

About 7-(morpholine-4-carbonyl)-3-phenyl-9H-pyrido[3,4-b]indole-1-carboxamide

7-(morpholine-4-carbonyl)-3-phenyl-9H-pyrido[3,4-b]indole-1-carboxamide (PubChem CID 66604530) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 7-(morpholine-4-carbonyl)-3-phenyl-9H-pyrido[3,4-b]indole-1-carboxamide.

Molecular Properties

Compound Name7-(morpholine-4-carbonyl)-3-phenyl-9H-pyrido[3,4-b]indole-1-carboxamide
PubChem CID66604530
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name7-(morpholine-4-carbonyl)-3-phenyl-9H-pyrido[3,4-b]indole-1-carboxamide
SMILESNC(=O)c1nc(-c2ccccc2)cc2c1[nH]c1cc(C(=O)N3CCOCC3)ccc12
InChIInChI=1S/C23H20N4O3/c24-22(28)21-20-17(13-18(25-21)14-4-2-1-3-5-14)16-7-6-15(12-19(16)26-20)23(29)27-8-10-30-11-9-27/h1-7,12-13,26H,8-11H2,(H2,24,28)
InChIKeyHAVLDYOVNRFDQG-UHFFFAOYSA-N
XLogP2.95
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(morpholine-4-carbonyl)-3-phenyl-9H-pyrido[3,4-b]indole-1-carboxamide?
The IUPAC name of 7-(morpholine-4-carbonyl)-3-phenyl-9H-pyrido[3,4-b]indole-1-carboxamide (CID 66604530) is 7-(morpholine-4-carbonyl)-3-phenyl-9H-pyrido[3,4-b]indole-1-carboxamide.
What is the SMILES notation for 7-(morpholine-4-carbonyl)-3-phenyl-9H-pyrido[3,4-b]indole-1-carboxamide?
The canonical SMILES for 7-(morpholine-4-carbonyl)-3-phenyl-9H-pyrido[3,4-b]indole-1-carboxamide is NC(=O)c1nc(-c2ccccc2)cc2c1[nH]c1cc(C(=O)N3CCOCC3)ccc12.
What is the InChIKey of 7-(morpholine-4-carbonyl)-3-phenyl-9H-pyrido[3,4-b]indole-1-carboxamide?
The InChIKey is HAVLDYOVNRFDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c24-22(28)21-20-17(13-18(25-21)14-4-2-1-3-5-14)16-7-6-15(12-19(16)26-20)23(29)27-8-10-30-11-9-27/h1-7,12-13,26H,8-11H2,(H2,24,28).
What are the key properties of 7-(morpholine-4-carbonyl)-3-phenyl-9H-pyrido[3,4-b]indole-1-carboxamide?
7-(morpholine-4-carbonyl)-3-phenyl-9H-pyrido[3,4-b]indole-1-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(morpholine-4-carbonyl)-3-phenyl-9H-pyrido[3,4-b]indole-1-carboxamide is sourced from PubChem (CID 66604530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).