N-(2-chloroquinolin-4-yl)-N,9-dimethylcarbazol-3-amine

C23H18ClN3 — CID 149401907

IUPACN-(2-chloroquinolin-4-yl)-N,9-dimethylcarbazol-3-amine
SMILESCN(c1ccc2c(c1)c1ccccc1n2C)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C23H18ClN3/c1-26(22-14-23(24)25-19-9-5-3-8-17(19)22)15-11-12-21-18(13-15)16-7-4-6-10-20(16)27(21)2/h3-14H,1-2H3
InChIKeyYPODDFUYCBLWHI-UHFFFAOYSA-N
MW371.87 g/mol
LogP6.30
Rot. Bonds2

About N-(2-chloroquinolin-4-yl)-N,9-dimethylcarbazol-3-amine

N-(2-chloroquinolin-4-yl)-N,9-dimethylcarbazol-3-amine (PubChem CID 149401907) has the molecular formula C23H18ClN3 and a molecular weight of 371.87 g/mol. Its IUPAC name is N-(2-chloroquinolin-4-yl)-N,9-dimethylcarbazol-3-amine.

Molecular Properties

Compound NameN-(2-chloroquinolin-4-yl)-N,9-dimethylcarbazol-3-amine
PubChem CID149401907
Molecular FormulaC23H18ClN3
Molecular Weight371.87 g/mol
Exact Mass371.12
IUPAC NameN-(2-chloroquinolin-4-yl)-N,9-dimethylcarbazol-3-amine
SMILESCN(c1ccc2c(c1)c1ccccc1n2C)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C23H18ClN3/c1-26(22-14-23(24)25-19-9-5-3-8-17(19)22)15-11-12-21-18(13-15)16-7-4-6-10-20(16)27(21)2/h3-14H,1-2H3
InChIKeyYPODDFUYCBLWHI-UHFFFAOYSA-N
XLogP6.30
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.87
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroquinolin-4-yl)-N,9-dimethylcarbazol-3-amine?
The IUPAC name of N-(2-chloroquinolin-4-yl)-N,9-dimethylcarbazol-3-amine (CID 149401907) is N-(2-chloroquinolin-4-yl)-N,9-dimethylcarbazol-3-amine.
What is the SMILES notation for N-(2-chloroquinolin-4-yl)-N,9-dimethylcarbazol-3-amine?
The canonical SMILES for N-(2-chloroquinolin-4-yl)-N,9-dimethylcarbazol-3-amine is CN(c1ccc2c(c1)c1ccccc1n2C)c1cc(Cl)nc2ccccc12.
What is the InChIKey of N-(2-chloroquinolin-4-yl)-N,9-dimethylcarbazol-3-amine?
The InChIKey is YPODDFUYCBLWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3/c1-26(22-14-23(24)25-19-9-5-3-8-17(19)22)15-11-12-21-18(13-15)16-7-4-6-10-20(16)27(21)2/h3-14H,1-2H3.
What are the key properties of N-(2-chloroquinolin-4-yl)-N,9-dimethylcarbazol-3-amine?
N-(2-chloroquinolin-4-yl)-N,9-dimethylcarbazol-3-amine has a molecular weight of 371.87 g/mol, XLogP of 6.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroquinolin-4-yl)-N,9-dimethylcarbazol-3-amine is sourced from PubChem (CID 149401907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).