8-chloro-3-[(propan-2-ylamino)methyl]-1H-quinolin-2-one

C13H15ClN2O — CID 84634088

IUPAC8-chloro-3-[(propan-2-ylamino)methyl]-1H-quinolin-2-one
SMILESCC(C)NCc1cc2cccc(Cl)c2[nH]c1=O
InChIInChI=1S/C13H15ClN2O/c1-8(2)15-7-10-6-9-4-3-5-11(14)12(9)16-13(10)17/h3-6,8,15H,7H2,1-2H3,(H,16,17)
InChIKeyONTSRVAMSAMDQO-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.68
Rot. Bonds3

About 8-chloro-3-[(propan-2-ylamino)methyl]-1H-quinolin-2-one

8-chloro-3-[(propan-2-ylamino)methyl]-1H-quinolin-2-one (PubChem CID 84634088) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 8-chloro-3-[(propan-2-ylamino)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name8-chloro-3-[(propan-2-ylamino)methyl]-1H-quinolin-2-one
PubChem CID84634088
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name8-chloro-3-[(propan-2-ylamino)methyl]-1H-quinolin-2-one
SMILESCC(C)NCc1cc2cccc(Cl)c2[nH]c1=O
InChIInChI=1S/C13H15ClN2O/c1-8(2)15-7-10-6-9-4-3-5-11(14)12(9)16-13(10)17/h3-6,8,15H,7H2,1-2H3,(H,16,17)
InChIKeyONTSRVAMSAMDQO-UHFFFAOYSA-N
XLogP2.68
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-[(propan-2-ylamino)methyl]-1H-quinolin-2-one?
The IUPAC name of 8-chloro-3-[(propan-2-ylamino)methyl]-1H-quinolin-2-one (CID 84634088) is 8-chloro-3-[(propan-2-ylamino)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 8-chloro-3-[(propan-2-ylamino)methyl]-1H-quinolin-2-one?
The canonical SMILES for 8-chloro-3-[(propan-2-ylamino)methyl]-1H-quinolin-2-one is CC(C)NCc1cc2cccc(Cl)c2[nH]c1=O.
What is the InChIKey of 8-chloro-3-[(propan-2-ylamino)methyl]-1H-quinolin-2-one?
The InChIKey is ONTSRVAMSAMDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-8(2)15-7-10-6-9-4-3-5-11(14)12(9)16-13(10)17/h3-6,8,15H,7H2,1-2H3,(H,16,17).
What are the key properties of 8-chloro-3-[(propan-2-ylamino)methyl]-1H-quinolin-2-one?
8-chloro-3-[(propan-2-ylamino)methyl]-1H-quinolin-2-one has a molecular weight of 250.73 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-[(propan-2-ylamino)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 84634088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).