6-chloro-4-[(2-phenyloxolan-3-yl)methylamino]quinoline-3-carbonitrile

C21H18ClN3O — CID 133353488

IUPAC6-chloro-4-[(2-phenyloxolan-3-yl)methylamino]quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccc(Cl)cc2c1NCC1CCOC1c1ccccc1
InChIInChI=1S/C21H18ClN3O/c22-17-6-7-19-18(10-17)20(16(11-23)13-24-19)25-12-15-8-9-26-21(15)14-4-2-1-3-5-14/h1-7,10,13,15,21H,8-9,12H2,(H,24,25)
InChIKeyBXNCKXXUFMANGY-UHFFFAOYSA-N
MW363.85 g/mol
LogP4.95
Rot. Bonds4

About 6-chloro-4-[(2-phenyloxolan-3-yl)methylamino]quinoline-3-carbonitrile

6-chloro-4-[(2-phenyloxolan-3-yl)methylamino]quinoline-3-carbonitrile (PubChem CID 133353488) has the molecular formula C21H18ClN3O and a molecular weight of 363.85 g/mol. Its IUPAC name is 6-chloro-4-[(2-phenyloxolan-3-yl)methylamino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-4-[(2-phenyloxolan-3-yl)methylamino]quinoline-3-carbonitrile
PubChem CID133353488
Molecular FormulaC21H18ClN3O
Molecular Weight363.85 g/mol
Exact Mass363.11
IUPAC Name6-chloro-4-[(2-phenyloxolan-3-yl)methylamino]quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccc(Cl)cc2c1NCC1CCOC1c1ccccc1
InChIInChI=1S/C21H18ClN3O/c22-17-6-7-19-18(10-17)20(16(11-23)13-24-19)25-12-15-8-9-26-21(15)14-4-2-1-3-5-14/h1-7,10,13,15,21H,8-9,12H2,(H,24,25)
InChIKeyBXNCKXXUFMANGY-UHFFFAOYSA-N
XLogP4.95
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[(2-phenyloxolan-3-yl)methylamino]quinoline-3-carbonitrile?
The IUPAC name of 6-chloro-4-[(2-phenyloxolan-3-yl)methylamino]quinoline-3-carbonitrile (CID 133353488) is 6-chloro-4-[(2-phenyloxolan-3-yl)methylamino]quinoline-3-carbonitrile.
What is the SMILES notation for 6-chloro-4-[(2-phenyloxolan-3-yl)methylamino]quinoline-3-carbonitrile?
The canonical SMILES for 6-chloro-4-[(2-phenyloxolan-3-yl)methylamino]quinoline-3-carbonitrile is N#Cc1cnc2ccc(Cl)cc2c1NCC1CCOC1c1ccccc1.
What is the InChIKey of 6-chloro-4-[(2-phenyloxolan-3-yl)methylamino]quinoline-3-carbonitrile?
The InChIKey is BXNCKXXUFMANGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O/c22-17-6-7-19-18(10-17)20(16(11-23)13-24-19)25-12-15-8-9-26-21(15)14-4-2-1-3-5-14/h1-7,10,13,15,21H,8-9,12H2,(H,24,25).
What are the key properties of 6-chloro-4-[(2-phenyloxolan-3-yl)methylamino]quinoline-3-carbonitrile?
6-chloro-4-[(2-phenyloxolan-3-yl)methylamino]quinoline-3-carbonitrile has a molecular weight of 363.85 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[(2-phenyloxolan-3-yl)methylamino]quinoline-3-carbonitrile is sourced from PubChem (CID 133353488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).