7-amino-6-(oxan-3-ylamino)-3,4-dihydro-1H-quinolin-2-one

C14H19N3O2 — CID 55189494

IUPAC7-amino-6-(oxan-3-ylamino)-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1NC1CCCOC1)CCC(=O)N2
InChIInChI=1S/C14H19N3O2/c15-11-7-12-9(3-4-14(18)17-12)6-13(11)16-10-2-1-5-19-8-10/h6-7,10,16H,1-5,8,15H2,(H,17,18)
InChIKeyPKHLIIXHUGEUCE-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.74
Rot. Bonds2

About 7-amino-6-(oxan-3-ylamino)-3,4-dihydro-1H-quinolin-2-one

7-amino-6-(oxan-3-ylamino)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 55189494) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 7-amino-6-(oxan-3-ylamino)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-amino-6-(oxan-3-ylamino)-3,4-dihydro-1H-quinolin-2-one
PubChem CID55189494
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name7-amino-6-(oxan-3-ylamino)-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1NC1CCCOC1)CCC(=O)N2
InChIInChI=1S/C14H19N3O2/c15-11-7-12-9(3-4-14(18)17-12)6-13(11)16-10-2-1-5-19-8-10/h6-7,10,16H,1-5,8,15H2,(H,17,18)
InChIKeyPKHLIIXHUGEUCE-UHFFFAOYSA-N
XLogP1.74
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-6-(oxan-3-ylamino)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-amino-6-(oxan-3-ylamino)-3,4-dihydro-1H-quinolin-2-one (CID 55189494) is 7-amino-6-(oxan-3-ylamino)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-amino-6-(oxan-3-ylamino)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-amino-6-(oxan-3-ylamino)-3,4-dihydro-1H-quinolin-2-one is Nc1cc2c(cc1NC1CCCOC1)CCC(=O)N2.
What is the InChIKey of 7-amino-6-(oxan-3-ylamino)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is PKHLIIXHUGEUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-11-7-12-9(3-4-14(18)17-12)6-13(11)16-10-2-1-5-19-8-10/h6-7,10,16H,1-5,8,15H2,(H,17,18).
What are the key properties of 7-amino-6-(oxan-3-ylamino)-3,4-dihydro-1H-quinolin-2-one?
7-amino-6-(oxan-3-ylamino)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 261.32 g/mol, XLogP of 1.74, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-(oxan-3-ylamino)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 55189494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).