N-[(6-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)methyl]propan-1-amine

C17H23ClN2 — CID 82449604

IUPACN-[(6-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)methyl]propan-1-amine
SMILESCCCNCc1cc(C(C)C)nc2c(C)cc(Cl)cc12
InChIInChI=1S/C17H23ClN2/c1-5-6-19-10-13-8-16(11(2)3)20-17-12(4)7-14(18)9-15(13)17/h7-9,11,19H,5-6,10H2,1-4H3
InChIKeyUCNGVOZWCAFCOT-UHFFFAOYSA-N
MW290.84 g/mol
LogP4.82
Rot. Bonds5

About N-[(6-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)methyl]propan-1-amine

N-[(6-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)methyl]propan-1-amine (PubChem CID 82449604) has the molecular formula C17H23ClN2 and a molecular weight of 290.84 g/mol. Its IUPAC name is N-[(6-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(6-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)methyl]propan-1-amine
PubChem CID82449604
Molecular FormulaC17H23ClN2
Molecular Weight290.84 g/mol
Exact Mass290.15
IUPAC NameN-[(6-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)methyl]propan-1-amine
SMILESCCCNCc1cc(C(C)C)nc2c(C)cc(Cl)cc12
InChIInChI=1S/C17H23ClN2/c1-5-6-19-10-13-8-16(11(2)3)20-17-12(4)7-14(18)9-15(13)17/h7-9,11,19H,5-6,10H2,1-4H3
InChIKeyUCNGVOZWCAFCOT-UHFFFAOYSA-N
XLogP4.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.84
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(6-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)methyl]propan-1-amine (CID 82449604) is N-[(6-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(6-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(6-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)methyl]propan-1-amine is CCCNCc1cc(C(C)C)nc2c(C)cc(Cl)cc12.
What is the InChIKey of N-[(6-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)methyl]propan-1-amine?
The InChIKey is UCNGVOZWCAFCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2/c1-5-6-19-10-13-8-16(11(2)3)20-17-12(4)7-14(18)9-15(13)17/h7-9,11,19H,5-6,10H2,1-4H3.
What are the key properties of N-[(6-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)methyl]propan-1-amine?
N-[(6-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)methyl]propan-1-amine has a molecular weight of 290.84 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 82449604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).