6-chloro-3-(pyrrolidin-3-ylmethyl)-1H-quinolin-2-one

C14H15ClN2O — CID 84639003

IUPAC6-chloro-3-(pyrrolidin-3-ylmethyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2cc1CC1CCNC1
InChIInChI=1S/C14H15ClN2O/c15-12-1-2-13-10(7-12)6-11(14(18)17-13)5-9-3-4-16-8-9/h1-2,6-7,9,16H,3-5,8H2,(H,17,18)
InChIKeyYPVMWVARCHEOGP-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.33
Rot. Bonds2

About 6-chloro-3-(pyrrolidin-3-ylmethyl)-1H-quinolin-2-one

6-chloro-3-(pyrrolidin-3-ylmethyl)-1H-quinolin-2-one (PubChem CID 84639003) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 6-chloro-3-(pyrrolidin-3-ylmethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-(pyrrolidin-3-ylmethyl)-1H-quinolin-2-one
PubChem CID84639003
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name6-chloro-3-(pyrrolidin-3-ylmethyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2cc1CC1CCNC1
InChIInChI=1S/C14H15ClN2O/c15-12-1-2-13-10(7-12)6-11(14(18)17-13)5-9-3-4-16-8-9/h1-2,6-7,9,16H,3-5,8H2,(H,17,18)
InChIKeyYPVMWVARCHEOGP-UHFFFAOYSA-N
XLogP2.33
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(pyrrolidin-3-ylmethyl)-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-(pyrrolidin-3-ylmethyl)-1H-quinolin-2-one (CID 84639003) is 6-chloro-3-(pyrrolidin-3-ylmethyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-(pyrrolidin-3-ylmethyl)-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-(pyrrolidin-3-ylmethyl)-1H-quinolin-2-one is O=c1[nH]c2ccc(Cl)cc2cc1CC1CCNC1.
What is the InChIKey of 6-chloro-3-(pyrrolidin-3-ylmethyl)-1H-quinolin-2-one?
The InChIKey is YPVMWVARCHEOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c15-12-1-2-13-10(7-12)6-11(14(18)17-13)5-9-3-4-16-8-9/h1-2,6-7,9,16H,3-5,8H2,(H,17,18).
What are the key properties of 6-chloro-3-(pyrrolidin-3-ylmethyl)-1H-quinolin-2-one?
6-chloro-3-(pyrrolidin-3-ylmethyl)-1H-quinolin-2-one has a molecular weight of 262.74 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(pyrrolidin-3-ylmethyl)-1H-quinolin-2-one is sourced from PubChem (CID 84639003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).