8-cyclopropyl-2-methyl-3-phenyl-9H-pyrido[2,3-b]indole

C21H18N2 — CID 166634600

IUPAC8-cyclopropyl-2-methyl-3-phenyl-9H-pyrido[2,3-b]indole
SMILESCc1nc2[nH]c3c(C4CC4)cccc3c2cc1-c1ccccc1
InChIInChI=1S/C21H18N2/c1-13-18(14-6-3-2-4-7-14)12-19-17-9-5-8-16(15-10-11-15)20(17)23-21(19)22-13/h2-9,12,15H,10-11H2,1H3,(H,22,23)
InChIKeyJKCLIKHPRVEFSD-UHFFFAOYSA-N
MW298.39 g/mol
LogP5.57
Rot. Bonds2

About 8-cyclopropyl-2-methyl-3-phenyl-9H-pyrido[2,3-b]indole

8-cyclopropyl-2-methyl-3-phenyl-9H-pyrido[2,3-b]indole (PubChem CID 166634600) has the molecular formula C21H18N2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 8-cyclopropyl-2-methyl-3-phenyl-9H-pyrido[2,3-b]indole.

Molecular Properties

Compound Name8-cyclopropyl-2-methyl-3-phenyl-9H-pyrido[2,3-b]indole
PubChem CID166634600
Molecular FormulaC21H18N2
Molecular Weight298.39 g/mol
Exact Mass298.15
IUPAC Name8-cyclopropyl-2-methyl-3-phenyl-9H-pyrido[2,3-b]indole
SMILESCc1nc2[nH]c3c(C4CC4)cccc3c2cc1-c1ccccc1
InChIInChI=1S/C21H18N2/c1-13-18(14-6-3-2-4-7-14)12-19-17-9-5-8-16(15-10-11-15)20(17)23-21(19)22-13/h2-9,12,15H,10-11H2,1H3,(H,22,23)
InChIKeyJKCLIKHPRVEFSD-UHFFFAOYSA-N
XLogP5.57
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.39
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-2-methyl-3-phenyl-9H-pyrido[2,3-b]indole?
The IUPAC name of 8-cyclopropyl-2-methyl-3-phenyl-9H-pyrido[2,3-b]indole (CID 166634600) is 8-cyclopropyl-2-methyl-3-phenyl-9H-pyrido[2,3-b]indole.
What is the SMILES notation for 8-cyclopropyl-2-methyl-3-phenyl-9H-pyrido[2,3-b]indole?
The canonical SMILES for 8-cyclopropyl-2-methyl-3-phenyl-9H-pyrido[2,3-b]indole is Cc1nc2[nH]c3c(C4CC4)cccc3c2cc1-c1ccccc1.
What is the InChIKey of 8-cyclopropyl-2-methyl-3-phenyl-9H-pyrido[2,3-b]indole?
The InChIKey is JKCLIKHPRVEFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2/c1-13-18(14-6-3-2-4-7-14)12-19-17-9-5-8-16(15-10-11-15)20(17)23-21(19)22-13/h2-9,12,15H,10-11H2,1H3,(H,22,23).
What are the key properties of 8-cyclopropyl-2-methyl-3-phenyl-9H-pyrido[2,3-b]indole?
8-cyclopropyl-2-methyl-3-phenyl-9H-pyrido[2,3-b]indole has a molecular weight of 298.39 g/mol, XLogP of 5.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-2-methyl-3-phenyl-9H-pyrido[2,3-b]indole is sourced from PubChem (CID 166634600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).