6-amino-1-propylquinolin-2-one;6-nitro-1-propylquinolin-2-one

C24H26N4O4 — CID 159549926

IUPAC6-amino-1-propylquinolin-2-one;6-nitro-1-propylquinolin-2-one
SMILESCCCn1c(=O)ccc2cc(N)ccc21.CCCn1c(=O)ccc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C12H12N2O3.C12H14N2O/c1-2-7-13-11-5-4-10(14(16)17)8-9(11)3-6-12(13)15;1-2-7-14-11-5-4-10(13)8-9(11)3-6-12(14)15/h3-6,8H,2,7H2,1H3;3-6,8H,2,7,13H2,1H3
InChIKeyMFGIDOJYFCULSJ-UHFFFAOYSA-N
MW434.50 g/mol
LogP4.31
Rot. Bonds5

About 6-amino-1-propylquinolin-2-one;6-nitro-1-propylquinolin-2-one

6-amino-1-propylquinolin-2-one;6-nitro-1-propylquinolin-2-one (PubChem CID 159549926) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 6-amino-1-propylquinolin-2-one;6-nitro-1-propylquinolin-2-one.

Molecular Properties

Compound Name6-amino-1-propylquinolin-2-one;6-nitro-1-propylquinolin-2-one
PubChem CID159549926
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name6-amino-1-propylquinolin-2-one;6-nitro-1-propylquinolin-2-one
SMILESCCCn1c(=O)ccc2cc(N)ccc21.CCCn1c(=O)ccc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C12H12N2O3.C12H14N2O/c1-2-7-13-11-5-4-10(14(16)17)8-9(11)3-6-12(13)15;1-2-7-14-11-5-4-10(13)8-9(11)3-6-12(14)15/h3-6,8H,2,7H2,1H3;3-6,8H,2,7,13H2,1H3
InChIKeyMFGIDOJYFCULSJ-UHFFFAOYSA-N
XLogP4.31
TPSA113.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-nitro-1-propylquinolin-2-one;1-propylquinolin-2-one
CID 158476838
8-nitrotetracen-2-amine
CID 101022943
ethyl 5-nitro-1-propylindole-2-carboxylate
CID 12068604
1-ethylindol-6-amine;1-ethyl-6-nitroindole
CID 159386864
5-nitroindol-1-amine
CID 10583430
methyl 2-(6-amino-1-methyl-2-oxoquinolin-3-yl)sulfanylacetate;methyl 2-(1-methyl-6-nitro-2-oxoquinolin-3-yl)sulfanylacetate
CID 159910472
N-[(1S)-1-naphthalen-2-ylethyl]-2-(6-nitro-2-oxoquinolin-1-yl)acetamide
CID 100712098
isoquinolin-7-amine;7-nitroisoquinoline
CID 23211043
2-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-5-nitroaniline
CID 63110870
1-ethyl-5-nitroindole-2-carboxylate
CID 22381020
4-amino-6-(4-nitrophenyl)-2-propylpyridazin-3-one
CID 82467572
1-butyl-6-nitroindazole
CID 155169975

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-propylquinolin-2-one;6-nitro-1-propylquinolin-2-one?
The IUPAC name of 6-amino-1-propylquinolin-2-one;6-nitro-1-propylquinolin-2-one (CID 159549926) is 6-amino-1-propylquinolin-2-one;6-nitro-1-propylquinolin-2-one.
What is the SMILES notation for 6-amino-1-propylquinolin-2-one;6-nitro-1-propylquinolin-2-one?
The canonical SMILES for 6-amino-1-propylquinolin-2-one;6-nitro-1-propylquinolin-2-one is CCCn1c(=O)ccc2cc(N)ccc21.CCCn1c(=O)ccc2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 6-amino-1-propylquinolin-2-one;6-nitro-1-propylquinolin-2-one?
The InChIKey is MFGIDOJYFCULSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3.C12H14N2O/c1-2-7-13-11-5-4-10(14(16)17)8-9(11)3-6-12(13)15;1-2-7-14-11-5-4-10(13)8-9(11)3-6-12(14)15/h3-6,8H,2,7H2,1H3;3-6,8H,2,7,13H2,1H3.
What are the key properties of 6-amino-1-propylquinolin-2-one;6-nitro-1-propylquinolin-2-one?
6-amino-1-propylquinolin-2-one;6-nitro-1-propylquinolin-2-one has a molecular weight of 434.50 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-propylquinolin-2-one;6-nitro-1-propylquinolin-2-one is sourced from PubChem (CID 159549926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).