(9-ethylcarbazol-3-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone

C24H22N2O — CID 71679429

IUPAC(9-ethylcarbazol-3-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone
SMILESCCn1c2ccccc2c2cc(C(=O)c3cccc4c3NCCC4)ccc21
InChIInChI=1S/C24H22N2O/c1-2-26-21-11-4-3-9-18(21)20-15-17(12-13-22(20)26)24(27)19-10-5-7-16-8-6-14-25-23(16)19/h3-5,7,9-13,15,25H,2,6,8,14H2,1H3
InChIKeyOTARXASAKXSPKF-UHFFFAOYSA-N
MW354.45 g/mol
LogP5.40
Rot. Bonds3

About (9-ethylcarbazol-3-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone

(9-ethylcarbazol-3-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone (PubChem CID 71679429) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is (9-ethylcarbazol-3-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone.

Molecular Properties

Compound Name(9-ethylcarbazol-3-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone
PubChem CID71679429
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC Name(9-ethylcarbazol-3-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone
SMILESCCn1c2ccccc2c2cc(C(=O)c3cccc4c3NCCC4)ccc21
InChIInChI=1S/C24H22N2O/c1-2-26-21-11-4-3-9-18(21)20-15-17(12-13-22(20)26)24(27)19-10-5-7-16-8-6-14-25-23(16)19/h3-5,7,9-13,15,25H,2,6,8,14H2,1H3
InChIKeyOTARXASAKXSPKF-UHFFFAOYSA-N
XLogP5.40
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Related Compounds

(9-ethylcarbazol-3-yl)-(2-ethylphenyl)methanone
CID 141364067
(6-deuterio-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone
CID 175814606
9-ethylcarbazole-3-carboxylic acid
CID 4912869
9-ethylcarbazole-3-carboxylate
CID 7148416
9-ethyl-3-[(E)-2-(9-ethylcarbazol-3-yl)-1,2-diphenylethenyl]carbazole
CID 102220131
9-ethyl-N,N-dimethylcarbazole-3-carboxamide
CID 163964567
[3,5-bis(trifluoromethyl)phenyl]-(9-ethylcarbazol-3-yl)methanone
CID 155432714
(2-chlorophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone
CID 52915289
1-(9-ethylcarbazol-3-yl)cyclobutane-1-carboxylic acid
CID 117473482
[4-[bis(9-ethylcarbazol-3-yl)amino]phenyl]-phenylmethanone
CID 177399395
[9-ethyl-6-(thiolan-1-ium-1-ylmethyl)carbazol-3-yl]-(2-methylphenyl)methanone
CID 59664422
(9-ethylcarbazol-3-yl)-[2-methyl-4-(oxolan-2-ylmethoxy)phenyl]methanone
CID 154001612

Frequently Asked Questions

What is the IUPAC name of (9-ethylcarbazol-3-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone?
The IUPAC name of (9-ethylcarbazol-3-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone (CID 71679429) is (9-ethylcarbazol-3-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone.
What is the SMILES notation for (9-ethylcarbazol-3-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone?
The canonical SMILES for (9-ethylcarbazol-3-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone is CCn1c2ccccc2c2cc(C(=O)c3cccc4c3NCCC4)ccc21.
What is the InChIKey of (9-ethylcarbazol-3-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone?
The InChIKey is OTARXASAKXSPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O/c1-2-26-21-11-4-3-9-18(21)20-15-17(12-13-22(20)26)24(27)19-10-5-7-16-8-6-14-25-23(16)19/h3-5,7,9-13,15,25H,2,6,8,14H2,1H3.
What are the key properties of (9-ethylcarbazol-3-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone?
(9-ethylcarbazol-3-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone has a molecular weight of 354.45 g/mol, XLogP of 5.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9-ethylcarbazol-3-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone is sourced from PubChem (CID 71679429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).