N-benzyl-N-[(5-chloroquinolin-8-yl)methyl]cyclopropanamine

C20H19ClN2 — CID 60506252

IUPACN-benzyl-N-[(5-chloroquinolin-8-yl)methyl]cyclopropanamine
SMILESClc1ccc(CN(Cc2ccccc2)C2CC2)c2ncccc12
InChIInChI=1S/C20H19ClN2/c21-19-11-8-16(20-18(19)7-4-12-22-20)14-23(17-9-10-17)13-15-5-2-1-3-6-15/h1-8,11-12,17H,9-10,13-14H2
InChIKeySBZPDSLLEYQTBL-UHFFFAOYSA-N
MW322.84 g/mol
LogP5.05
Rot. Bonds5

About N-benzyl-N-[(5-chloroquinolin-8-yl)methyl]cyclopropanamine

N-benzyl-N-[(5-chloroquinolin-8-yl)methyl]cyclopropanamine (PubChem CID 60506252) has the molecular formula C20H19ClN2 and a molecular weight of 322.84 g/mol. Its IUPAC name is N-benzyl-N-[(5-chloroquinolin-8-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-benzyl-N-[(5-chloroquinolin-8-yl)methyl]cyclopropanamine
PubChem CID60506252
Molecular FormulaC20H19ClN2
Molecular Weight322.84 g/mol
Exact Mass322.12
IUPAC NameN-benzyl-N-[(5-chloroquinolin-8-yl)methyl]cyclopropanamine
SMILESClc1ccc(CN(Cc2ccccc2)C2CC2)c2ncccc12
InChIInChI=1S/C20H19ClN2/c21-19-11-8-16(20-18(19)7-4-12-22-20)14-23(17-9-10-17)13-15-5-2-1-3-6-15/h1-8,11-12,17H,9-10,13-14H2
InChIKeySBZPDSLLEYQTBL-UHFFFAOYSA-N
XLogP5.05
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.84
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(5-chloroquinolin-8-yl)methyl]cyclopropanamine?
The IUPAC name of N-benzyl-N-[(5-chloroquinolin-8-yl)methyl]cyclopropanamine (CID 60506252) is N-benzyl-N-[(5-chloroquinolin-8-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-benzyl-N-[(5-chloroquinolin-8-yl)methyl]cyclopropanamine?
The canonical SMILES for N-benzyl-N-[(5-chloroquinolin-8-yl)methyl]cyclopropanamine is Clc1ccc(CN(Cc2ccccc2)C2CC2)c2ncccc12.
What is the InChIKey of N-benzyl-N-[(5-chloroquinolin-8-yl)methyl]cyclopropanamine?
The InChIKey is SBZPDSLLEYQTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2/c21-19-11-8-16(20-18(19)7-4-12-22-20)14-23(17-9-10-17)13-15-5-2-1-3-6-15/h1-8,11-12,17H,9-10,13-14H2.
What are the key properties of N-benzyl-N-[(5-chloroquinolin-8-yl)methyl]cyclopropanamine?
N-benzyl-N-[(5-chloroquinolin-8-yl)methyl]cyclopropanamine has a molecular weight of 322.84 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(5-chloroquinolin-8-yl)methyl]cyclopropanamine is sourced from PubChem (CID 60506252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).