N-butan-2-yl-2-(chloromethyl)-N-(2-methoxyethyl)quinolin-4-amine

C17H23ClN2O — CID 63375126

IUPACN-butan-2-yl-2-(chloromethyl)-N-(2-methoxyethyl)quinolin-4-amine
SMILESCCC(C)N(CCOC)c1cc(CCl)nc2ccccc12
InChIInChI=1S/C17H23ClN2O/c1-4-13(2)20(9-10-21-3)17-11-14(12-18)19-16-8-6-5-7-15(16)17/h5-8,11,13H,4,9-10,12H2,1-3H3
InChIKeyLQPWXUBHSMNIGI-UHFFFAOYSA-N
MW306.84 g/mol
LogP4.22
Rot. Bonds7

About N-butan-2-yl-2-(chloromethyl)-N-(2-methoxyethyl)quinolin-4-amine

N-butan-2-yl-2-(chloromethyl)-N-(2-methoxyethyl)quinolin-4-amine (PubChem CID 63375126) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is N-butan-2-yl-2-(chloromethyl)-N-(2-methoxyethyl)quinolin-4-amine.

Molecular Properties

Compound NameN-butan-2-yl-2-(chloromethyl)-N-(2-methoxyethyl)quinolin-4-amine
PubChem CID63375126
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC NameN-butan-2-yl-2-(chloromethyl)-N-(2-methoxyethyl)quinolin-4-amine
SMILESCCC(C)N(CCOC)c1cc(CCl)nc2ccccc12
InChIInChI=1S/C17H23ClN2O/c1-4-13(2)20(9-10-21-3)17-11-14(12-18)19-16-8-6-5-7-15(16)17/h5-8,11,13H,4,9-10,12H2,1-3H3
InChIKeyLQPWXUBHSMNIGI-UHFFFAOYSA-N
XLogP4.22
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(chloromethyl)-N-(2-methoxyethyl)quinolin-4-amine?
The IUPAC name of N-butan-2-yl-2-(chloromethyl)-N-(2-methoxyethyl)quinolin-4-amine (CID 63375126) is N-butan-2-yl-2-(chloromethyl)-N-(2-methoxyethyl)quinolin-4-amine.
What is the SMILES notation for N-butan-2-yl-2-(chloromethyl)-N-(2-methoxyethyl)quinolin-4-amine?
The canonical SMILES for N-butan-2-yl-2-(chloromethyl)-N-(2-methoxyethyl)quinolin-4-amine is CCC(C)N(CCOC)c1cc(CCl)nc2ccccc12.
What is the InChIKey of N-butan-2-yl-2-(chloromethyl)-N-(2-methoxyethyl)quinolin-4-amine?
The InChIKey is LQPWXUBHSMNIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c1-4-13(2)20(9-10-21-3)17-11-14(12-18)19-16-8-6-5-7-15(16)17/h5-8,11,13H,4,9-10,12H2,1-3H3.
What are the key properties of N-butan-2-yl-2-(chloromethyl)-N-(2-methoxyethyl)quinolin-4-amine?
N-butan-2-yl-2-(chloromethyl)-N-(2-methoxyethyl)quinolin-4-amine has a molecular weight of 306.84 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(chloromethyl)-N-(2-methoxyethyl)quinolin-4-amine is sourced from PubChem (CID 63375126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).