N,N-dimethyl-3-[1-phenyl-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-2-yl]propan-1-amine

C28H25N5 — CID 141114455

IUPACN,N-dimethyl-3-[1-phenyl-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-2-yl]propan-1-amine
SMILESCN(C)CCCc1nc2cnc3ccc(C#Cc4cccnc4)cc3c2n1-c1ccccc1
InChIInChI=1S/C28H25N5/c1-32(2)17-7-11-27-31-26-20-30-25-15-14-21(12-13-22-8-6-16-29-19-22)18-24(25)28(26)33(27)23-9-4-3-5-10-23/h3-6,8-10,14-16,18-20H,7,11,17H2,1-2H3
InChIKeyYGHBBCWQRKTTRH-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.86
Rot. Bonds5

About N,N-dimethyl-3-[1-phenyl-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-2-yl]propan-1-amine

N,N-dimethyl-3-[1-phenyl-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-2-yl]propan-1-amine (PubChem CID 141114455) has the molecular formula C28H25N5 and a molecular weight of 431.54 g/mol. Its IUPAC name is N,N-dimethyl-3-[1-phenyl-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-2-yl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[1-phenyl-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-2-yl]propan-1-amine
PubChem CID141114455
Molecular FormulaC28H25N5
Molecular Weight431.54 g/mol
Exact Mass431.21
IUPAC NameN,N-dimethyl-3-[1-phenyl-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-2-yl]propan-1-amine
SMILESCN(C)CCCc1nc2cnc3ccc(C#Cc4cccnc4)cc3c2n1-c1ccccc1
InChIInChI=1S/C28H25N5/c1-32(2)17-7-11-27-31-26-20-30-25-15-14-21(12-13-22-8-6-16-29-19-22)18-24(25)28(26)33(27)23-9-4-3-5-10-23/h3-6,8-10,14-16,18-20H,7,11,17H2,1-2H3
InChIKeyYGHBBCWQRKTTRH-UHFFFAOYSA-N
XLogP4.86
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[1-phenyl-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-2-yl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[1-phenyl-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-2-yl]propan-1-amine (CID 141114455) is N,N-dimethyl-3-[1-phenyl-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-2-yl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[1-phenyl-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-2-yl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[1-phenyl-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-2-yl]propan-1-amine is CN(C)CCCc1nc2cnc3ccc(C#Cc4cccnc4)cc3c2n1-c1ccccc1.
What is the InChIKey of N,N-dimethyl-3-[1-phenyl-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-2-yl]propan-1-amine?
The InChIKey is YGHBBCWQRKTTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5/c1-32(2)17-7-11-27-31-26-20-30-25-15-14-21(12-13-22-8-6-16-29-19-22)18-24(25)28(26)33(27)23-9-4-3-5-10-23/h3-6,8-10,14-16,18-20H,7,11,17H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[1-phenyl-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-2-yl]propan-1-amine?
N,N-dimethyl-3-[1-phenyl-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-2-yl]propan-1-amine has a molecular weight of 431.54 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[1-phenyl-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-2-yl]propan-1-amine is sourced from PubChem (CID 141114455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).