8-chloro-N-(2-methoxyphenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide

C19H18ClN3O2 — CID 660649

IUPAC8-chloro-N-(2-methoxyphenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1
InChIInChI=1S/C19H18ClN3O2/c1-25-18-5-3-2-4-17(18)22-19(24)23-9-8-16-14(11-23)13-10-12(20)6-7-15(13)21-16/h2-7,10,21H,8-9,11H2,1H3,(H,22,24)
InChIKeyXMAFTFIGOJVYSK-UHFFFAOYSA-N
MW355.83 g/mol
LogP4.42
Rot. Bonds2

About 8-chloro-N-(2-methoxyphenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide

8-chloro-N-(2-methoxyphenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide (PubChem CID 660649) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 8-chloro-N-(2-methoxyphenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide.

Molecular Properties

Compound Name8-chloro-N-(2-methoxyphenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
PubChem CID660649
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name8-chloro-N-(2-methoxyphenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1
InChIInChI=1S/C19H18ClN3O2/c1-25-18-5-3-2-4-17(18)22-19(24)23-9-8-16-14(11-23)13-10-12(20)6-7-15(13)21-16/h2-7,10,21H,8-9,11H2,1H3,(H,22,24)
InChIKeyXMAFTFIGOJVYSK-UHFFFAOYSA-N
XLogP4.42
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(2-methoxyphenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide?
The IUPAC name of 8-chloro-N-(2-methoxyphenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide (CID 660649) is 8-chloro-N-(2-methoxyphenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide.
What is the SMILES notation for 8-chloro-N-(2-methoxyphenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide?
The canonical SMILES for 8-chloro-N-(2-methoxyphenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide is COc1ccccc1NC(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1.
What is the InChIKey of 8-chloro-N-(2-methoxyphenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide?
The InChIKey is XMAFTFIGOJVYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-25-18-5-3-2-4-17(18)22-19(24)23-9-8-16-14(11-23)13-10-12(20)6-7-15(13)21-16/h2-7,10,21H,8-9,11H2,1H3,(H,22,24).
What are the key properties of 8-chloro-N-(2-methoxyphenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide?
8-chloro-N-(2-methoxyphenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide has a molecular weight of 355.83 g/mol, XLogP of 4.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(2-methoxyphenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide is sourced from PubChem (CID 660649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).