N-[(8-chloro-2-propan-2-ylquinolin-4-yl)methyl]propan-2-amine

C16H21ClN2 — CID 82448950

IUPACN-[(8-chloro-2-propan-2-ylquinolin-4-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cc(C(C)C)nc2c(Cl)cccc12
InChIInChI=1S/C16H21ClN2/c1-10(2)15-8-12(9-18-11(3)4)13-6-5-7-14(17)16(13)19-15/h5-8,10-11,18H,9H2,1-4H3
InChIKeyNYIAIJCWNYSDQM-UHFFFAOYSA-N
MW276.81 g/mol
LogP4.51
Rot. Bonds4

About N-[(8-chloro-2-propan-2-ylquinolin-4-yl)methyl]propan-2-amine

N-[(8-chloro-2-propan-2-ylquinolin-4-yl)methyl]propan-2-amine (PubChem CID 82448950) has the molecular formula C16H21ClN2 and a molecular weight of 276.81 g/mol. Its IUPAC name is N-[(8-chloro-2-propan-2-ylquinolin-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(8-chloro-2-propan-2-ylquinolin-4-yl)methyl]propan-2-amine
PubChem CID82448950
Molecular FormulaC16H21ClN2
Molecular Weight276.81 g/mol
Exact Mass276.14
IUPAC NameN-[(8-chloro-2-propan-2-ylquinolin-4-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cc(C(C)C)nc2c(Cl)cccc12
InChIInChI=1S/C16H21ClN2/c1-10(2)15-8-12(9-18-11(3)4)13-6-5-7-14(17)16(13)19-15/h5-8,10-11,18H,9H2,1-4H3
InChIKeyNYIAIJCWNYSDQM-UHFFFAOYSA-N
XLogP4.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(8-chloro-2-propan-2-ylquinolin-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(8-chloro-2-propan-2-ylquinolin-4-yl)methyl]propan-2-amine (CID 82448950) is N-[(8-chloro-2-propan-2-ylquinolin-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(8-chloro-2-propan-2-ylquinolin-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(8-chloro-2-propan-2-ylquinolin-4-yl)methyl]propan-2-amine is CC(C)NCc1cc(C(C)C)nc2c(Cl)cccc12.
What is the InChIKey of N-[(8-chloro-2-propan-2-ylquinolin-4-yl)methyl]propan-2-amine?
The InChIKey is NYIAIJCWNYSDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2/c1-10(2)15-8-12(9-18-11(3)4)13-6-5-7-14(17)16(13)19-15/h5-8,10-11,18H,9H2,1-4H3.
What are the key properties of N-[(8-chloro-2-propan-2-ylquinolin-4-yl)methyl]propan-2-amine?
N-[(8-chloro-2-propan-2-ylquinolin-4-yl)methyl]propan-2-amine has a molecular weight of 276.81 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-chloro-2-propan-2-ylquinolin-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 82448950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).