7-amino-6-[(4-hydroxyoxan-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one

C15H21N3O3 — CID 81133979

IUPAC7-amino-6-[(4-hydroxyoxan-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1NCC1(O)CCOCC1)CCC(=O)N2
InChIInChI=1S/C15H21N3O3/c16-11-8-12-10(1-2-14(19)18-12)7-13(11)17-9-15(20)3-5-21-6-4-15/h7-8,17,20H,1-6,9,16H2,(H,18,19)
InChIKeyNWQNVGARASMRLS-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.11
Rot. Bonds3

About 7-amino-6-[(4-hydroxyoxan-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one

7-amino-6-[(4-hydroxyoxan-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 81133979) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 7-amino-6-[(4-hydroxyoxan-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-amino-6-[(4-hydroxyoxan-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID81133979
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name7-amino-6-[(4-hydroxyoxan-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1NCC1(O)CCOCC1)CCC(=O)N2
InChIInChI=1S/C15H21N3O3/c16-11-8-12-10(1-2-14(19)18-12)7-13(11)17-9-15(20)3-5-21-6-4-15/h7-8,17,20H,1-6,9,16H2,(H,18,19)
InChIKeyNWQNVGARASMRLS-UHFFFAOYSA-N
XLogP1.11
TPSA96.61 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-amino-6-(morpholin-4-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 83004557
6-amino-7-(morpholin-4-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 83004965
7-amino-6-[(3-hydroxy-2-methylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 65034025
7-amino-6-[(4-methylphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43449799
6-amino-7-(ethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455516
2-[(7-amino-2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-N-propan-2-ylacetamide
CID 43567820
7-amino-6-(2-cyclopentylethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 60920159
7-amino-6-(thiolan-2-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 80584888
6-amino-7-(2-methylpropylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455514
2-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-N-methylacetamide
CID 43383610
7-amino-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 106369694
7-amino-6-(oxan-3-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 55189494

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-[(4-hydroxyoxan-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-amino-6-[(4-hydroxyoxan-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one (CID 81133979) is 7-amino-6-[(4-hydroxyoxan-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-amino-6-[(4-hydroxyoxan-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-amino-6-[(4-hydroxyoxan-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one is Nc1cc2c(cc1NCC1(O)CCOCC1)CCC(=O)N2.
What is the InChIKey of 7-amino-6-[(4-hydroxyoxan-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is NWQNVGARASMRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c16-11-8-12-10(1-2-14(19)18-12)7-13(11)17-9-15(20)3-5-21-6-4-15/h7-8,17,20H,1-6,9,16H2,(H,18,19).
What are the key properties of 7-amino-6-[(4-hydroxyoxan-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
7-amino-6-[(4-hydroxyoxan-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 291.35 g/mol, XLogP of 1.11, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-[(4-hydroxyoxan-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 81133979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).