1-methyl-4-(oxolan-3-ylamino)-3,4-dihydroquinolin-2-one

C14H18N2O2 — CID 80716475

IUPAC1-methyl-4-(oxolan-3-ylamino)-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CC(NC2CCOC2)c2ccccc21
InChIInChI=1S/C14H18N2O2/c1-16-13-5-3-2-4-11(13)12(8-14(16)17)15-10-6-7-18-9-10/h2-5,10,12,15H,6-9H2,1H3
InChIKeyDHMBQOKSSZFJNQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.47
Rot. Bonds2

About 1-methyl-4-(oxolan-3-ylamino)-3,4-dihydroquinolin-2-one

1-methyl-4-(oxolan-3-ylamino)-3,4-dihydroquinolin-2-one (PubChem CID 80716475) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-methyl-4-(oxolan-3-ylamino)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-4-(oxolan-3-ylamino)-3,4-dihydroquinolin-2-one
PubChem CID80716475
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-methyl-4-(oxolan-3-ylamino)-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CC(NC2CCOC2)c2ccccc21
InChIInChI=1S/C14H18N2O2/c1-16-13-5-3-2-4-11(13)12(8-14(16)17)15-10-6-7-18-9-10/h2-5,10,12,15H,6-9H2,1H3
InChIKeyDHMBQOKSSZFJNQ-UHFFFAOYSA-N
XLogP1.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(oxolan-3-ylamino)-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-4-(oxolan-3-ylamino)-3,4-dihydroquinolin-2-one (CID 80716475) is 1-methyl-4-(oxolan-3-ylamino)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-4-(oxolan-3-ylamino)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-4-(oxolan-3-ylamino)-3,4-dihydroquinolin-2-one is CN1C(=O)CC(NC2CCOC2)c2ccccc21.
What is the InChIKey of 1-methyl-4-(oxolan-3-ylamino)-3,4-dihydroquinolin-2-one?
The InChIKey is DHMBQOKSSZFJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-16-13-5-3-2-4-11(13)12(8-14(16)17)15-10-6-7-18-9-10/h2-5,10,12,15H,6-9H2,1H3.
What are the key properties of 1-methyl-4-(oxolan-3-ylamino)-3,4-dihydroquinolin-2-one?
1-methyl-4-(oxolan-3-ylamino)-3,4-dihydroquinolin-2-one has a molecular weight of 246.31 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(oxolan-3-ylamino)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 80716475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).