6-[2-(dimethylamino)propylamino]-7-nitro-3,4-dihydro-1H-quinolin-2-one

C14H20N4O3 — CID 61043811

IUPAC6-[2-(dimethylamino)propylamino]-7-nitro-3,4-dihydro-1H-quinolin-2-one
SMILESCC(CNc1cc2c(cc1[N+](=O)[O-])NC(=O)CC2)N(C)C
InChIInChI=1S/C14H20N4O3/c1-9(17(2)3)8-15-12-6-10-4-5-14(19)16-11(10)7-13(12)18(20)21/h6-7,9,15H,4-5,8H2,1-3H3,(H,16,19)
InChIKeyBWXUGKKRAJYGLW-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.84
Rot. Bonds5

About 6-[2-(dimethylamino)propylamino]-7-nitro-3,4-dihydro-1H-quinolin-2-one

6-[2-(dimethylamino)propylamino]-7-nitro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 61043811) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 6-[2-(dimethylamino)propylamino]-7-nitro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-(dimethylamino)propylamino]-7-nitro-3,4-dihydro-1H-quinolin-2-one
PubChem CID61043811
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name6-[2-(dimethylamino)propylamino]-7-nitro-3,4-dihydro-1H-quinolin-2-one
SMILESCC(CNc1cc2c(cc1[N+](=O)[O-])NC(=O)CC2)N(C)C
InChIInChI=1S/C14H20N4O3/c1-9(17(2)3)8-15-12-6-10-4-5-14(19)16-11(10)7-13(12)18(20)21/h6-7,9,15H,4-5,8H2,1-3H3,(H,16,19)
InChIKeyBWXUGKKRAJYGLW-UHFFFAOYSA-N
XLogP1.84
TPSA87.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(ethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 43449821
6-(2,2-dimethoxyethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 107390082
6-(3-aminobutylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 63251145
6-(3-hydroxybutylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 64910637
6-(2-hydroxyethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 43382886
7-(3-methylbutylamino)-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 115585332
7-nitro-6-(2,2,2-trifluoroethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43449837
6-(cyclopropylmethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 43449824
6-(4-hydroxybutan-2-ylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 83186941
7-(hexylamino)-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 115585335
7-[(2-hydroxy-2-methylpropyl)amino]-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 115618366
4-[(7-nitro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanoic acid
CID 43449751

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)propylamino]-7-nitro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-(dimethylamino)propylamino]-7-nitro-3,4-dihydro-1H-quinolin-2-one (CID 61043811) is 6-[2-(dimethylamino)propylamino]-7-nitro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-(dimethylamino)propylamino]-7-nitro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-(dimethylamino)propylamino]-7-nitro-3,4-dihydro-1H-quinolin-2-one is CC(CNc1cc2c(cc1[N+](=O)[O-])NC(=O)CC2)N(C)C.
What is the InChIKey of 6-[2-(dimethylamino)propylamino]-7-nitro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is BWXUGKKRAJYGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-9(17(2)3)8-15-12-6-10-4-5-14(19)16-11(10)7-13(12)18(20)21/h6-7,9,15H,4-5,8H2,1-3H3,(H,16,19).
What are the key properties of 6-[2-(dimethylamino)propylamino]-7-nitro-3,4-dihydro-1H-quinolin-2-one?
6-[2-(dimethylamino)propylamino]-7-nitro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 292.34 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)propylamino]-7-nitro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 61043811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).