3-(aminomethyl)-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one

C16H14ClN3O2 — CID 129034649

IUPAC3-(aminomethyl)-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one
SMILESNCc1cc2cc(Cl)c(OCc3ccccn3)cc2[nH]c1=O
InChIInChI=1S/C16H14ClN3O2/c17-13-6-10-5-11(8-18)16(21)20-14(10)7-15(13)22-9-12-3-1-2-4-19-12/h1-7H,8-9,18H2,(H,20,21)
InChIKeyBSMACDGYQNWAMM-UHFFFAOYSA-N
MW315.76 g/mol
LogP2.61
Rot. Bonds4

About 3-(aminomethyl)-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one

3-(aminomethyl)-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one (PubChem CID 129034649) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is 3-(aminomethyl)-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one
PubChem CID129034649
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC Name3-(aminomethyl)-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one
SMILESNCc1cc2cc(Cl)c(OCc3ccccn3)cc2[nH]c1=O
InChIInChI=1S/C16H14ClN3O2/c17-13-6-10-5-11(8-18)16(21)20-14(10)7-15(13)22-9-12-3-1-2-4-19-12/h1-7H,8-9,18H2,(H,20,21)
InChIKeyBSMACDGYQNWAMM-UHFFFAOYSA-N
XLogP2.61
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one?
The IUPAC name of 3-(aminomethyl)-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one (CID 129034649) is 3-(aminomethyl)-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one.
What is the SMILES notation for 3-(aminomethyl)-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one?
The canonical SMILES for 3-(aminomethyl)-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one is NCc1cc2cc(Cl)c(OCc3ccccn3)cc2[nH]c1=O.
What is the InChIKey of 3-(aminomethyl)-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one?
The InChIKey is BSMACDGYQNWAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c17-13-6-10-5-11(8-18)16(21)20-14(10)7-15(13)22-9-12-3-1-2-4-19-12/h1-7H,8-9,18H2,(H,20,21).
What are the key properties of 3-(aminomethyl)-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one?
3-(aminomethyl)-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one has a molecular weight of 315.76 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one is sourced from PubChem (CID 129034649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).