(2-chlorophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone

C20H15ClN2O — CID 52915289

IUPAC(2-chlorophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone
SMILESCCn1c2ccncc2c2cc(C(=O)c3ccccc3Cl)ccc21
InChIInChI=1S/C20H15ClN2O/c1-2-23-18-8-7-13(20(24)14-5-3-4-6-17(14)21)11-15(18)16-12-22-10-9-19(16)23/h3-12H,2H2,1H3
InChIKeySNSDIXWPQWSIIJ-UHFFFAOYSA-N
MW334.81 g/mol
LogP5.09
Rot. Bonds3

About (2-chlorophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone

(2-chlorophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone (PubChem CID 52915289) has the molecular formula C20H15ClN2O and a molecular weight of 334.81 g/mol. Its IUPAC name is (2-chlorophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone
PubChem CID52915289
Molecular FormulaC20H15ClN2O
Molecular Weight334.81 g/mol
Exact Mass334.09
IUPAC Name(2-chlorophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone
SMILESCCn1c2ccncc2c2cc(C(=O)c3ccccc3Cl)ccc21
InChIInChI=1S/C20H15ClN2O/c1-2-23-18-8-7-13(20(24)14-5-3-4-6-17(14)21)11-15(18)16-12-22-10-9-19(16)23/h3-12H,2H2,1H3
InChIKeySNSDIXWPQWSIIJ-UHFFFAOYSA-N
XLogP5.09
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.81
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone
CID 52915293
(9-ethylcarbazol-3-yl)-(2-ethylphenyl)methanone
CID 141364067
(6-deuterio-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone
CID 175814606
1-(6-acetyl-9-ethylcarbazol-3-yl)ethanone
CID 622083
(6-tert-butyl-9-ethylcarbazol-3-yl)-(2-iodophenyl)methanone
CID 135020188
1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]pentan-1-one
CID 144844132
(6-butyl-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone
CID 141217378
[9-ethyl-6-[(E)-N-hydroxy-C-propylcarbonimidoyl]carbazol-3-yl]-(2-methylphenyl)methanone
CID 155166271
(6-amino-9-ethylcarbazol-3-yl)-phenylmethanone
CID 118892872
9-ethylcarbazole-3-carboxylic acid
CID 4912869
(9-ethylcarbazol-3-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone
CID 71679429
1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]pent-4-en-1-one
CID 167229658

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone (CID 52915289) is (2-chlorophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone is CCn1c2ccncc2c2cc(C(=O)c3ccccc3Cl)ccc21.
What is the InChIKey of (2-chlorophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone?
The InChIKey is SNSDIXWPQWSIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O/c1-2-23-18-8-7-13(20(24)14-5-3-4-6-17(14)21)11-15(18)16-12-22-10-9-19(16)23/h3-12H,2H2,1H3.
What are the key properties of (2-chlorophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone?
(2-chlorophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone has a molecular weight of 334.81 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone is sourced from PubChem (CID 52915289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).