7-chloro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinolin-4-amine

C15H17ClN2O2 — CID 133459173

IUPAC7-chloro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinolin-4-amine
SMILESCC1(CCNc2ccnc3cc(Cl)ccc23)OCCO1
InChIInChI=1S/C15H17ClN2O2/c1-15(19-8-9-20-15)5-7-18-13-4-6-17-14-10-11(16)2-3-12(13)14/h2-4,6,10H,5,7-9H2,1H3,(H,17,18)
InChIKeyTVBXRMHKMMKBOK-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.45
Rot. Bonds4

About 7-chloro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinolin-4-amine

7-chloro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinolin-4-amine (PubChem CID 133459173) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 7-chloro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinolin-4-amine
PubChem CID133459173
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name7-chloro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinolin-4-amine
SMILESCC1(CCNc2ccnc3cc(Cl)ccc23)OCCO1
InChIInChI=1S/C15H17ClN2O2/c1-15(19-8-9-20-15)5-7-18-13-4-6-17-14-10-11(16)2-3-12(13)14/h2-4,6,10H,5,7-9H2,1H3,(H,17,18)
InChIKeyTVBXRMHKMMKBOK-UHFFFAOYSA-N
XLogP3.45
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-7-chloroquinolin-4-amine
CID 10037042
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
N'-(7-chloroquinolin-4-yl)-N-ethylethane-1,2-diamine
CID 44543907
CID 70870191
CID 70870191
N-(2-butoxyethyl)-7-chloroquinolin-4-amine
CID 61175681
N-(7-chloroquinolin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 62639989
(E)-N,N'-bis(7-chloroquinolin-4-yl)but-2-ene-1,4-diamine
CID 18933493
7-chloro-N-[3-(3,3-dimethyl-1,2,5-trioxa-9-azaspiro[5.5]undecan-9-yl)propyl]quinolin-4-amine
CID 88938776
6-[(7-chloroquinolin-4-yl)amino]hexan-1-ol;hydrochloride
CID 21424794
N-(7-chloroquinolin-4-yl)-N',N'-bis[3-[(7-chloroquinolin-4-yl)amino]propyl]butane-1,4-diamine
CID 130467293
7-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]quinolin-4-amine
CID 133347532
7-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]quinolin-4-amine
CID 78955180

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinolin-4-amine (CID 133459173) is 7-chloro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinolin-4-amine is CC1(CCNc2ccnc3cc(Cl)ccc23)OCCO1.
What is the InChIKey of 7-chloro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinolin-4-amine?
The InChIKey is TVBXRMHKMMKBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-15(19-8-9-20-15)5-7-18-13-4-6-17-14-10-11(16)2-3-12(13)14/h2-4,6,10H,5,7-9H2,1H3,(H,17,18).
What are the key properties of 7-chloro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinolin-4-amine?
7-chloro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinolin-4-amine has a molecular weight of 292.77 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinolin-4-amine is sourced from PubChem (CID 133459173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).