7-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]quinolin-4-amine

C15H17ClN2O2 — CID 122561077

IUPAC7-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]quinolin-4-amine
SMILESCCO[C@H]1COC[C@@H]1Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C15H17ClN2O2/c1-2-20-15-9-19-8-14(15)18-12-5-6-17-13-7-10(16)3-4-11(12)13/h3-7,14-15H,2,8-9H2,1H3,(H,17,18)/t14-,15-/m0/s1
InChIKeyDZHFBOBQNPRUOI-GJZGRUSLSA-N
MW292.77 g/mol
LogP3.10
Rot. Bonds4

About 7-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]quinolin-4-amine

7-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]quinolin-4-amine (PubChem CID 122561077) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 7-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]quinolin-4-amine
PubChem CID122561077
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name7-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]quinolin-4-amine
SMILESCCO[C@H]1COC[C@@H]1Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C15H17ClN2O2/c1-2-20-15-9-19-8-14(15)18-12-5-6-17-13-7-10(16)3-4-11(12)13/h3-7,14-15H,2,8-9H2,1H3,(H,17,18)/t14-,15-/m0/s1
InChIKeyDZHFBOBQNPRUOI-GJZGRUSLSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]quinolin-4-amine (CID 122561077) is 7-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]quinolin-4-amine is CCO[C@H]1COC[C@@H]1Nc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]quinolin-4-amine?
The InChIKey is DZHFBOBQNPRUOI-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-2-20-15-9-19-8-14(15)18-12-5-6-17-13-7-10(16)3-4-11(12)13/h3-7,14-15H,2,8-9H2,1H3,(H,17,18)/t14-,15-/m0/s1.
What are the key properties of 7-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]quinolin-4-amine?
7-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]quinolin-4-amine has a molecular weight of 292.77 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]quinolin-4-amine is sourced from PubChem (CID 122561077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).