7-[(1-hydroxycyclopropyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one

C14H17NO2 — CID 117334528

IUPAC7-[(1-hydroxycyclopropyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2ccc(CC3(O)CC3)cc21
InChIInChI=1S/C14H17NO2/c1-15-12-8-10(9-14(17)6-7-14)2-3-11(12)4-5-13(15)16/h2-3,8,17H,4-7,9H2,1H3
InChIKeyCFFBQQFJGDNIAE-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.66
Rot. Bonds2

About 7-[(1-hydroxycyclopropyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one

7-[(1-hydroxycyclopropyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 117334528) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 7-[(1-hydroxycyclopropyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name7-[(1-hydroxycyclopropyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID117334528
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name7-[(1-hydroxycyclopropyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2ccc(CC3(O)CC3)cc21
InChIInChI=1S/C14H17NO2/c1-15-12-8-10(9-14(17)6-7-14)2-3-11(12)4-5-13(15)16/h2-3,8,17H,4-7,9H2,1H3
InChIKeyCFFBQQFJGDNIAE-UHFFFAOYSA-N
XLogP1.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-[(1-hydroxycyclopropyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 7-[(1-hydroxycyclopropyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one (CID 117334528) is 7-[(1-hydroxycyclopropyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 7-[(1-hydroxycyclopropyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 7-[(1-hydroxycyclopropyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2ccc(CC3(O)CC3)cc21.
What is the InChIKey of 7-[(1-hydroxycyclopropyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is CFFBQQFJGDNIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-15-12-8-10(9-14(17)6-7-14)2-3-11(12)4-5-13(15)16/h2-3,8,17H,4-7,9H2,1H3.
What are the key properties of 7-[(1-hydroxycyclopropyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one?
7-[(1-hydroxycyclopropyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 231.29 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-hydroxycyclopropyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 117334528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).