(Z)-N-tert-butyl-3-(5-chloroquinolin-8-yl)-2-methylprop-2-en-1-amine

C17H21ClN2 — CID 115960646

IUPAC(Z)-N-tert-butyl-3-(5-chloroquinolin-8-yl)-2-methylprop-2-en-1-amine
SMILESC/C(=C/c1ccc(Cl)c2cccnc12)CNC(C)(C)C
InChIInChI=1S/C17H21ClN2/c1-12(11-20-17(2,3)4)10-13-7-8-15(18)14-6-5-9-19-16(13)14/h5-10,20H,11H2,1-4H3/b12-10-
InChIKeyDWRGZFSBUGXWTH-BENRWUELSA-N
MW288.82 g/mol
LogP4.68
Rot. Bonds3

About (Z)-N-tert-butyl-3-(5-chloroquinolin-8-yl)-2-methylprop-2-en-1-amine

(Z)-N-tert-butyl-3-(5-chloroquinolin-8-yl)-2-methylprop-2-en-1-amine (PubChem CID 115960646) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is (Z)-N-tert-butyl-3-(5-chloroquinolin-8-yl)-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-N-tert-butyl-3-(5-chloroquinolin-8-yl)-2-methylprop-2-en-1-amine
PubChem CID115960646
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC Name(Z)-N-tert-butyl-3-(5-chloroquinolin-8-yl)-2-methylprop-2-en-1-amine
SMILESC/C(=C/c1ccc(Cl)c2cccnc12)CNC(C)(C)C
InChIInChI=1S/C17H21ClN2/c1-12(11-20-17(2,3)4)10-13-7-8-15(18)14-6-5-9-19-16(13)14/h5-10,20H,11H2,1-4H3/b12-10-
InChIKeyDWRGZFSBUGXWTH-BENRWUELSA-N
XLogP4.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-tert-butyl-3-(5-chloroquinolin-8-yl)-2-methylprop-2-en-1-amine?
The IUPAC name of (Z)-N-tert-butyl-3-(5-chloroquinolin-8-yl)-2-methylprop-2-en-1-amine (CID 115960646) is (Z)-N-tert-butyl-3-(5-chloroquinolin-8-yl)-2-methylprop-2-en-1-amine.
What is the SMILES notation for (Z)-N-tert-butyl-3-(5-chloroquinolin-8-yl)-2-methylprop-2-en-1-amine?
The canonical SMILES for (Z)-N-tert-butyl-3-(5-chloroquinolin-8-yl)-2-methylprop-2-en-1-amine is C/C(=C/c1ccc(Cl)c2cccnc12)CNC(C)(C)C.
What is the InChIKey of (Z)-N-tert-butyl-3-(5-chloroquinolin-8-yl)-2-methylprop-2-en-1-amine?
The InChIKey is DWRGZFSBUGXWTH-BENRWUELSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-12(11-20-17(2,3)4)10-13-7-8-15(18)14-6-5-9-19-16(13)14/h5-10,20H,11H2,1-4H3/b12-10-.
What are the key properties of (Z)-N-tert-butyl-3-(5-chloroquinolin-8-yl)-2-methylprop-2-en-1-amine?
(Z)-N-tert-butyl-3-(5-chloroquinolin-8-yl)-2-methylprop-2-en-1-amine has a molecular weight of 288.82 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-tert-butyl-3-(5-chloroquinolin-8-yl)-2-methylprop-2-en-1-amine is sourced from PubChem (CID 115960646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).