N,9-dimethyl-N-[2-(trifluoromethyl)quinolin-4-yl]carbazol-3-amine

C24H18F3N3 — CID 147817227

IUPACN,9-dimethyl-N-[2-(trifluoromethyl)quinolin-4-yl]carbazol-3-amine
SMILESCN(c1ccc2c(c1)c1ccccc1n2C)c1cc(C(F)(F)F)nc2ccccc12
InChIInChI=1S/C24H18F3N3/c1-29(22-14-23(24(25,26)27)28-19-9-5-3-8-17(19)22)15-11-12-21-18(13-15)16-7-4-6-10-20(16)30(21)2/h3-14H,1-2H3
InChIKeyHONUUNUHOKQPCN-UHFFFAOYSA-N
MW405.42 g/mol
LogP6.67
Rot. Bonds2

About N,9-dimethyl-N-[2-(trifluoromethyl)quinolin-4-yl]carbazol-3-amine

N,9-dimethyl-N-[2-(trifluoromethyl)quinolin-4-yl]carbazol-3-amine (PubChem CID 147817227) has the molecular formula C24H18F3N3 and a molecular weight of 405.42 g/mol. Its IUPAC name is N,9-dimethyl-N-[2-(trifluoromethyl)quinolin-4-yl]carbazol-3-amine.

Molecular Properties

Compound NameN,9-dimethyl-N-[2-(trifluoromethyl)quinolin-4-yl]carbazol-3-amine
PubChem CID147817227
Molecular FormulaC24H18F3N3
Molecular Weight405.42 g/mol
Exact Mass405.15
IUPAC NameN,9-dimethyl-N-[2-(trifluoromethyl)quinolin-4-yl]carbazol-3-amine
SMILESCN(c1ccc2c(c1)c1ccccc1n2C)c1cc(C(F)(F)F)nc2ccccc12
InChIInChI=1S/C24H18F3N3/c1-29(22-14-23(24(25,26)27)28-19-9-5-3-8-17(19)22)15-11-12-21-18(13-15)16-7-4-6-10-20(16)30(21)2/h3-14H,1-2H3
InChIKeyHONUUNUHOKQPCN-UHFFFAOYSA-N
XLogP6.67
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.42
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,9-dimethyl-N-[2-(trifluoromethyl)quinolin-4-yl]carbazol-3-amine?
The IUPAC name of N,9-dimethyl-N-[2-(trifluoromethyl)quinolin-4-yl]carbazol-3-amine (CID 147817227) is N,9-dimethyl-N-[2-(trifluoromethyl)quinolin-4-yl]carbazol-3-amine.
What is the SMILES notation for N,9-dimethyl-N-[2-(trifluoromethyl)quinolin-4-yl]carbazol-3-amine?
The canonical SMILES for N,9-dimethyl-N-[2-(trifluoromethyl)quinolin-4-yl]carbazol-3-amine is CN(c1ccc2c(c1)c1ccccc1n2C)c1cc(C(F)(F)F)nc2ccccc12.
What is the InChIKey of N,9-dimethyl-N-[2-(trifluoromethyl)quinolin-4-yl]carbazol-3-amine?
The InChIKey is HONUUNUHOKQPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3/c1-29(22-14-23(24(25,26)27)28-19-9-5-3-8-17(19)22)15-11-12-21-18(13-15)16-7-4-6-10-20(16)30(21)2/h3-14H,1-2H3.
What are the key properties of N,9-dimethyl-N-[2-(trifluoromethyl)quinolin-4-yl]carbazol-3-amine?
N,9-dimethyl-N-[2-(trifluoromethyl)quinolin-4-yl]carbazol-3-amine has a molecular weight of 405.42 g/mol, XLogP of 6.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,9-dimethyl-N-[2-(trifluoromethyl)quinolin-4-yl]carbazol-3-amine is sourced from PubChem (CID 147817227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).