15-amino-8-chloro-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide

C30H23ClN4O — CID 11375273

IUPAC15-amino-8-chloro-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESNC1(C(=O)Nc2ncc(-c3cccc4ccccc34)[nH]2)CC2(Cl)c3ccccc3C1c1ccccc12
InChIInChI=1S/C30H23ClN4O/c31-29-17-30(32,26(21-11-3-5-14-23(21)29)22-12-4-6-15-24(22)29)27(36)35-28-33-16-25(34-28)20-13-7-9-18-8-1-2-10-19(18)20/h1-16,26H,17,32H2,(H2,33,34,35,36)
InChIKeyQHEOJVLKDNUMES-UHFFFAOYSA-N
MW490.99 g/mol
LogP5.90
Rot. Bonds3

About 15-amino-8-chloro-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide

15-amino-8-chloro-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (PubChem CID 11375273) has the molecular formula C30H23ClN4O and a molecular weight of 490.99 g/mol. Its IUPAC name is 15-amino-8-chloro-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide.

Molecular Properties

Compound Name15-amino-8-chloro-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
PubChem CID11375273
Molecular FormulaC30H23ClN4O
Molecular Weight490.99 g/mol
Exact Mass490.16
IUPAC Name15-amino-8-chloro-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESNC1(C(=O)Nc2ncc(-c3cccc4ccccc34)[nH]2)CC2(Cl)c3ccccc3C1c1ccccc12
InChIInChI=1S/C30H23ClN4O/c31-29-17-30(32,26(21-11-3-5-14-23(21)29)22-12-4-6-15-24(22)29)27(36)35-28-33-16-25(34-28)20-13-7-9-18-8-1-2-10-19(18)20/h1-16,26H,17,32H2,(H2,33,34,35,36)
InChIKeyQHEOJVLKDNUMES-UHFFFAOYSA-N
XLogP5.90
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.99
LogP ≤ 55.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 15-amino-8-chloro-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-amino-8-chloro-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The IUPAC name of 15-amino-8-chloro-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (CID 11375273) is 15-amino-8-chloro-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide.
What is the SMILES notation for 15-amino-8-chloro-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The canonical SMILES for 15-amino-8-chloro-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is NC1(C(=O)Nc2ncc(-c3cccc4ccccc34)[nH]2)CC2(Cl)c3ccccc3C1c1ccccc12.
What is the InChIKey of 15-amino-8-chloro-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The InChIKey is QHEOJVLKDNUMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23ClN4O/c31-29-17-30(32,26(21-11-3-5-14-23(21)29)22-12-4-6-15-24(22)29)27(36)35-28-33-16-25(34-28)20-13-7-9-18-8-1-2-10-19(18)20/h1-16,26H,17,32H2,(H2,33,34,35,36).
What are the key properties of 15-amino-8-chloro-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
15-amino-8-chloro-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide has a molecular weight of 490.99 g/mol, XLogP of 5.90, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-amino-8-chloro-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is sourced from PubChem (CID 11375273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).