N-(2-phenyl-5H-pyrido[3,2-b]indole-4-carbonyl)-1,4-oxazepane-4-carboxamide

C24H22N4O3 — CID 68753917

IUPACN-(2-phenyl-5H-pyrido[3,2-b]indole-4-carbonyl)-1,4-oxazepane-4-carboxamide
SMILESO=C(NC(=O)N1CCCOCC1)c1cc(-c2ccccc2)nc2c1[nH]c1ccccc12
InChIInChI=1S/C24H22N4O3/c29-23(27-24(30)28-11-6-13-31-14-12-28)18-15-20(16-7-2-1-3-8-16)26-21-17-9-4-5-10-19(17)25-22(18)21/h1-5,7-10,15,25H,6,11-14H2,(H,27,29,30)
InChIKeyWVORFGDQIZQFAY-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.96
Rot. Bonds2

About N-(2-phenyl-5H-pyrido[3,2-b]indole-4-carbonyl)-1,4-oxazepane-4-carboxamide

N-(2-phenyl-5H-pyrido[3,2-b]indole-4-carbonyl)-1,4-oxazepane-4-carboxamide (PubChem CID 68753917) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-(2-phenyl-5H-pyrido[3,2-b]indole-4-carbonyl)-1,4-oxazepane-4-carboxamide.

Molecular Properties

Compound NameN-(2-phenyl-5H-pyrido[3,2-b]indole-4-carbonyl)-1,4-oxazepane-4-carboxamide
PubChem CID68753917
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC NameN-(2-phenyl-5H-pyrido[3,2-b]indole-4-carbonyl)-1,4-oxazepane-4-carboxamide
SMILESO=C(NC(=O)N1CCCOCC1)c1cc(-c2ccccc2)nc2c1[nH]c1ccccc12
InChIInChI=1S/C24H22N4O3/c29-23(27-24(30)28-11-6-13-31-14-12-28)18-15-20(16-7-2-1-3-8-16)26-21-17-9-4-5-10-19(17)25-22(18)21/h1-5,7-10,15,25H,6,11-14H2,(H,27,29,30)
InChIKeyWVORFGDQIZQFAY-UHFFFAOYSA-N
XLogP3.96
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenyl-5H-pyrido[3,2-b]indole-4-carbonyl)-1,4-oxazepane-4-carboxamide?
The IUPAC name of N-(2-phenyl-5H-pyrido[3,2-b]indole-4-carbonyl)-1,4-oxazepane-4-carboxamide (CID 68753917) is N-(2-phenyl-5H-pyrido[3,2-b]indole-4-carbonyl)-1,4-oxazepane-4-carboxamide.
What is the SMILES notation for N-(2-phenyl-5H-pyrido[3,2-b]indole-4-carbonyl)-1,4-oxazepane-4-carboxamide?
The canonical SMILES for N-(2-phenyl-5H-pyrido[3,2-b]indole-4-carbonyl)-1,4-oxazepane-4-carboxamide is O=C(NC(=O)N1CCCOCC1)c1cc(-c2ccccc2)nc2c1[nH]c1ccccc12.
What is the InChIKey of N-(2-phenyl-5H-pyrido[3,2-b]indole-4-carbonyl)-1,4-oxazepane-4-carboxamide?
The InChIKey is WVORFGDQIZQFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c29-23(27-24(30)28-11-6-13-31-14-12-28)18-15-20(16-7-2-1-3-8-16)26-21-17-9-4-5-10-19(17)25-22(18)21/h1-5,7-10,15,25H,6,11-14H2,(H,27,29,30).
What are the key properties of N-(2-phenyl-5H-pyrido[3,2-b]indole-4-carbonyl)-1,4-oxazepane-4-carboxamide?
N-(2-phenyl-5H-pyrido[3,2-b]indole-4-carbonyl)-1,4-oxazepane-4-carboxamide has a molecular weight of 414.47 g/mol, XLogP of 3.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyl-5H-pyrido[3,2-b]indole-4-carbonyl)-1,4-oxazepane-4-carboxamide is sourced from PubChem (CID 68753917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).