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

C17H23ClN2 — CID 82448955

IUPACN-[(8-chloro-2-propan-2-ylquinolin-4-yl)methyl]butan-2-amine
SMILESCCC(C)NCc1cc(C(C)C)nc2c(Cl)cccc12
InChIInChI=1S/C17H23ClN2/c1-5-12(4)19-10-13-9-16(11(2)3)20-17-14(13)7-6-8-15(17)18/h6-9,11-12,19H,5,10H2,1-4H3
InChIKeyRBJGUDVAUIPTFM-UHFFFAOYSA-N
MW290.84 g/mol
LogP4.90
Rot. Bonds5

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

N-[(8-chloro-2-propan-2-ylquinolin-4-yl)methyl]butan-2-amine (PubChem CID 82448955) has the molecular formula C17H23ClN2 and a molecular weight of 290.84 g/mol. Its IUPAC name is N-[(8-chloro-2-propan-2-ylquinolin-4-yl)methyl]butan-2-amine.

Molecular Properties

Compound NameN-[(8-chloro-2-propan-2-ylquinolin-4-yl)methyl]butan-2-amine
PubChem CID82448955
Molecular FormulaC17H23ClN2
Molecular Weight290.84 g/mol
Exact Mass290.15
IUPAC NameN-[(8-chloro-2-propan-2-ylquinolin-4-yl)methyl]butan-2-amine
SMILESCCC(C)NCc1cc(C(C)C)nc2c(Cl)cccc12
InChIInChI=1S/C17H23ClN2/c1-5-12(4)19-10-13-9-16(11(2)3)20-17-14(13)7-6-8-15(17)18/h6-9,11-12,19H,5,10H2,1-4H3
InChIKeyRBJGUDVAUIPTFM-UHFFFAOYSA-N
XLogP4.90
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 ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(8-chloro-2-propan-2-ylquinolin-4-yl)methyl]propan-2-amine
CID 82448950
N-[(8-methyl-2-propan-2-ylquinolin-4-yl)methyl]butan-2-amine
CID 82447872
N-[(2-tert-butyl-8-chloroquinolin-4-yl)methyl]butan-2-amine
CID 82448987
N-[(8-bromo-2-methylquinolin-4-yl)methyl]butan-2-amine
CID 82449013
8-chloro-2-propan-2-yl-N-propylquinolin-4-amine
CID 63480780
N-[(7,8-dichloro-2-methylquinolin-4-yl)methyl]butan-2-amine
CID 82449312
N-[(8-methyl-2-propan-2-ylquinolin-4-yl)methyl]ethanamine
CID 82447866
N-[(8-methoxy-2-methylquinolin-4-yl)methyl]butan-2-amine
CID 82449656
1-(8-chloro-2-propan-2-ylquinolin-4-yl)ethanone
CID 82448971
8-bromo-4-(chloromethyl)-2-propan-2-ylquinoline
CID 82449036
4-(bromomethyl)-2,8-di(propan-2-yl)quinoline
CID 82448081
(7,8-dichloro-2-propan-2-ylquinolin-4-yl)methanol
CID 82449331

Frequently Asked Questions

What is the IUPAC name of N-[(8-chloro-2-propan-2-ylquinolin-4-yl)methyl]butan-2-amine?
The IUPAC name of N-[(8-chloro-2-propan-2-ylquinolin-4-yl)methyl]butan-2-amine (CID 82448955) is N-[(8-chloro-2-propan-2-ylquinolin-4-yl)methyl]butan-2-amine.
What is the SMILES notation for N-[(8-chloro-2-propan-2-ylquinolin-4-yl)methyl]butan-2-amine?
The canonical SMILES for N-[(8-chloro-2-propan-2-ylquinolin-4-yl)methyl]butan-2-amine is CCC(C)NCc1cc(C(C)C)nc2c(Cl)cccc12.
What is the InChIKey of N-[(8-chloro-2-propan-2-ylquinolin-4-yl)methyl]butan-2-amine?
The InChIKey is RBJGUDVAUIPTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2/c1-5-12(4)19-10-13-9-16(11(2)3)20-17-14(13)7-6-8-15(17)18/h6-9,11-12,19H,5,10H2,1-4H3.
What are the key properties of N-[(8-chloro-2-propan-2-ylquinolin-4-yl)methyl]butan-2-amine?
N-[(8-chloro-2-propan-2-ylquinolin-4-yl)methyl]butan-2-amine has a molecular weight of 290.84 g/mol, XLogP of 4.90, 5 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]butan-2-amine is sourced from PubChem (CID 82448955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).