7-amino-6-(oxolan-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one

C14H18N2O3 — CID 43449973

IUPAC7-amino-6-(oxolan-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1OCC1CCCO1)CCC(=O)N2
InChIInChI=1S/C14H18N2O3/c15-11-7-12-9(3-4-14(17)16-12)6-13(11)19-8-10-2-1-5-18-10/h6-7,10H,1-5,8,15H2,(H,16,17)
InChIKeyPTHFSBPRJNDUQK-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.71
Rot. Bonds3

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

7-amino-6-(oxolan-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43449973) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 7-amino-6-(oxolan-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-amino-6-(oxolan-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one
PubChem CID43449973
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name7-amino-6-(oxolan-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1OCC1CCCO1)CCC(=O)N2
InChIInChI=1S/C14H18N2O3/c15-11-7-12-9(3-4-14(17)16-12)6-13(11)19-8-10-2-1-5-18-10/h6-7,10H,1-5,8,15H2,(H,16,17)
InChIKeyPTHFSBPRJNDUQK-UHFFFAOYSA-N
XLogP1.71
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-amino-6-(2-ethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 43382899
6-amino-7-(2-cyclopropylethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 106199650
5-bromo-4-fluoro-2-(oxolan-2-ylmethoxy)aniline
CID 66111356
4-bromo-5-fluoro-2-(oxolan-2-ylmethoxy)aniline
CID 116736428
5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]aniline
CID 40822784
2-oxo-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18108766
7-amino-6-[(2-fluorophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 63933837
4-amino-3-(oxolan-2-ylmethoxy)benzonitrile
CID 104712496
5-amino-6-(cyclopentylmethoxy)-1,3-dihydroindol-2-one
CID 66323000
4-bromo-5-fluoro-2-(oxan-2-ylmethoxy)aniline
CID 116736435
6-amino-7-[3-(2-methoxyethoxy)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 103401017
6-amino-7-trimethylsilyloxy-3,4-dihydro-1H-quinolin-2-one
CID 167723388

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-(oxolan-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-amino-6-(oxolan-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one (CID 43449973) is 7-amino-6-(oxolan-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-amino-6-(oxolan-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-amino-6-(oxolan-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one is Nc1cc2c(cc1OCC1CCCO1)CCC(=O)N2.
What is the InChIKey of 7-amino-6-(oxolan-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is PTHFSBPRJNDUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c15-11-7-12-9(3-4-14(17)16-12)6-13(11)19-8-10-2-1-5-18-10/h6-7,10H,1-5,8,15H2,(H,16,17).
What are the key properties of 7-amino-6-(oxolan-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one?
7-amino-6-(oxolan-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 262.31 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-(oxolan-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43449973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).