9-(1-chloro-3,4-dihydro-2H-quinoxalin-2-yl)carbazol-3-amine

C20H17ClN4 — CID 145055851

IUPAC9-(1-chloro-3,4-dihydro-2H-quinoxalin-2-yl)carbazol-3-amine
SMILESNc1ccc2c(c1)c1ccccc1n2C1CNc2ccccc2N1Cl
InChIInChI=1S/C20H17ClN4/c21-25-19-8-4-2-6-16(19)23-12-20(25)24-17-7-3-1-5-14(17)15-11-13(22)9-10-18(15)24/h1-11,20,23H,12,22H2
InChIKeyWNBQWOQTXVGPBB-UHFFFAOYSA-N
MW348.84 g/mol
LogP4.96
Rot. Bonds1

About 9-(1-chloro-3,4-dihydro-2H-quinoxalin-2-yl)carbazol-3-amine

9-(1-chloro-3,4-dihydro-2H-quinoxalin-2-yl)carbazol-3-amine (PubChem CID 145055851) has the molecular formula C20H17ClN4 and a molecular weight of 348.84 g/mol. Its IUPAC name is 9-(1-chloro-3,4-dihydro-2H-quinoxalin-2-yl)carbazol-3-amine.

Molecular Properties

Compound Name9-(1-chloro-3,4-dihydro-2H-quinoxalin-2-yl)carbazol-3-amine
PubChem CID145055851
Molecular FormulaC20H17ClN4
Molecular Weight348.84 g/mol
Exact Mass348.11
IUPAC Name9-(1-chloro-3,4-dihydro-2H-quinoxalin-2-yl)carbazol-3-amine
SMILESNc1ccc2c(c1)c1ccccc1n2C1CNc2ccccc2N1Cl
InChIInChI=1S/C20H17ClN4/c21-25-19-8-4-2-6-16(19)23-12-20(25)24-17-7-3-1-5-14(17)15-11-13(22)9-10-18(15)24/h1-11,20,23H,12,22H2
InChIKeyWNBQWOQTXVGPBB-UHFFFAOYSA-N
XLogP4.96
TPSA46.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.84
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-(1-chloro-3,4-dihydro-2H-quinoxalin-2-yl)carbazol-3-amine?
The IUPAC name of 9-(1-chloro-3,4-dihydro-2H-quinoxalin-2-yl)carbazol-3-amine (CID 145055851) is 9-(1-chloro-3,4-dihydro-2H-quinoxalin-2-yl)carbazol-3-amine.
What is the SMILES notation for 9-(1-chloro-3,4-dihydro-2H-quinoxalin-2-yl)carbazol-3-amine?
The canonical SMILES for 9-(1-chloro-3,4-dihydro-2H-quinoxalin-2-yl)carbazol-3-amine is Nc1ccc2c(c1)c1ccccc1n2C1CNc2ccccc2N1Cl.
What is the InChIKey of 9-(1-chloro-3,4-dihydro-2H-quinoxalin-2-yl)carbazol-3-amine?
The InChIKey is WNBQWOQTXVGPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4/c21-25-19-8-4-2-6-16(19)23-12-20(25)24-17-7-3-1-5-14(17)15-11-13(22)9-10-18(15)24/h1-11,20,23H,12,22H2.
What are the key properties of 9-(1-chloro-3,4-dihydro-2H-quinoxalin-2-yl)carbazol-3-amine?
9-(1-chloro-3,4-dihydro-2H-quinoxalin-2-yl)carbazol-3-amine has a molecular weight of 348.84 g/mol, XLogP of 4.96, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-chloro-3,4-dihydro-2H-quinoxalin-2-yl)carbazol-3-amine is sourced from PubChem (CID 145055851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).