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

C13H18N4O2 — CID 83004557

IUPAC7-amino-6-(morpholin-4-ylamino)-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1NN1CCOCC1)CCC(=O)N2
InChIInChI=1S/C13H18N4O2/c14-10-8-11-9(1-2-13(18)15-11)7-12(10)16-17-3-5-19-6-4-17/h7-8,16H,1-6,14H2,(H,15,18)
InChIKeyAERBDOKREAPMQJ-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.81
Rot. Bonds2

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

7-amino-6-(morpholin-4-ylamino)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 83004557) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 7-amino-6-(morpholin-4-ylamino)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-amino-6-(morpholin-4-ylamino)-3,4-dihydro-1H-quinolin-2-one
PubChem CID83004557
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name7-amino-6-(morpholin-4-ylamino)-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1NN1CCOCC1)CCC(=O)N2
InChIInChI=1S/C13H18N4O2/c14-10-8-11-9(1-2-13(18)15-11)7-12(10)16-17-3-5-19-6-4-17/h7-8,16H,1-6,14H2,(H,15,18)
InChIKeyAERBDOKREAPMQJ-UHFFFAOYSA-N
XLogP0.81
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-morpholin-4-yl-N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)acetamide;hydrochloride
CID 70684657
8-morpholin-4-yl-3,4-dihydro-1H-quinolin-2-one
CID 138985196
7-amino-6-[2-(2,2,2-trifluoroethoxy)ethylamino]-3,4-dihydro-1H-quinolin-2-one
CID 63826747
6-amino-7-[2-(2,2,2-trifluoroethoxy)ethylamino]-3,4-dihydro-1H-quinolin-2-one
CID 63827104
2-morpholin-4-yl-N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)acetamide
CID 70684658
6-amino-7-[2-(2,2-difluoroethoxy)ethylamino]-3,4-dihydro-1H-quinolin-2-one
CID 105906509
7-amino-6-[2-(2,2-difluoroethoxy)ethylamino]-3,4-dihydro-1H-quinolin-2-one
CID 105906537
6-amino-7-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 107478137
7-amino-6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 107478221
6-amino-7-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 107478300
7-amino-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 107478389
2-(Morpholin-4-YL)-N-(1,4,7-trimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-YL)acetamide
CID 45919308

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-(morpholin-4-ylamino)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-amino-6-(morpholin-4-ylamino)-3,4-dihydro-1H-quinolin-2-one (CID 83004557) is 7-amino-6-(morpholin-4-ylamino)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-amino-6-(morpholin-4-ylamino)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-amino-6-(morpholin-4-ylamino)-3,4-dihydro-1H-quinolin-2-one is Nc1cc2c(cc1NN1CCOCC1)CCC(=O)N2.
What is the InChIKey of 7-amino-6-(morpholin-4-ylamino)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is AERBDOKREAPMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c14-10-8-11-9(1-2-13(18)15-11)7-12(10)16-17-3-5-19-6-4-17/h7-8,16H,1-6,14H2,(H,15,18).
What are the key properties of 7-amino-6-(morpholin-4-ylamino)-3,4-dihydro-1H-quinolin-2-one?
7-amino-6-(morpholin-4-ylamino)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 262.31 g/mol, XLogP of 0.81, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-(morpholin-4-ylamino)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 83004557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).