1-cyclopropyl-6,7-dimethoxy-5-nitroquinolin-4-one

C14H14N2O5 — CID 151974709

IUPAC1-cyclopropyl-6,7-dimethoxy-5-nitroquinolin-4-one
SMILESCOc1cc2c(c([N+](=O)[O-])c1OC)c(=O)ccn2C1CC1
InChIInChI=1S/C14H14N2O5/c1-20-11-7-9-12(13(16(18)19)14(11)21-2)10(17)5-6-15(9)8-3-4-8/h5-8H,3-4H2,1-2H3
InChIKeyUBKORFIFWWAFPP-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.26
Rot. Bonds4

About 1-cyclopropyl-6,7-dimethoxy-5-nitroquinolin-4-one

1-cyclopropyl-6,7-dimethoxy-5-nitroquinolin-4-one (PubChem CID 151974709) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is 1-cyclopropyl-6,7-dimethoxy-5-nitroquinolin-4-one.

Molecular Properties

Compound Name1-cyclopropyl-6,7-dimethoxy-5-nitroquinolin-4-one
PubChem CID151974709
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name1-cyclopropyl-6,7-dimethoxy-5-nitroquinolin-4-one
SMILESCOc1cc2c(c([N+](=O)[O-])c1OC)c(=O)ccn2C1CC1
InChIInChI=1S/C14H14N2O5/c1-20-11-7-9-12(13(16(18)19)14(11)21-2)10(17)5-6-15(9)8-3-4-8/h5-8H,3-4H2,1-2H3
InChIKeyUBKORFIFWWAFPP-UHFFFAOYSA-N
XLogP2.26
TPSA83.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

1-cyclopropyl-6,7-dimethoxy-5-nitro-4-oxoquinoline-3-carboxylic acid
CID 86732834
6,7-dimethoxy-8-nitro-2H-isoquinolin-1-one
CID 24971761
1-cyclopropyl-7-fluoro-8-methoxyquinolin-4-one
CID 91606345
1-bromo-3,4-dimethoxy-2-nitrobenzene
CID 66522885
2-(3,5-dimethoxy-4-nitrophenoxy)-1,3,5-trimethoxy-4-nitrobenzene
CID 71371782
4,5-dimethoxy-2,3-dinitrobenzoic acid
CID 131843904
3-fluoro-2-nitro-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
CID 60579307
(4-methylpiperidin-1-yl)-(3,4,5-trimethoxy-2-nitrophenyl)methanone
CID 27669894
6,7-dimethoxy-8-nitroquinoline
CID 616387
2,3,5-trimethoxy-6-nitrobenzaldehyde
CID 66545581
3,4,5-trimethoxy-2-nitrobenzaldehyde
CID 18697918
2-methoxy-6-nitro-4-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenol
CID 23056679

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6,7-dimethoxy-5-nitroquinolin-4-one?
The IUPAC name of 1-cyclopropyl-6,7-dimethoxy-5-nitroquinolin-4-one (CID 151974709) is 1-cyclopropyl-6,7-dimethoxy-5-nitroquinolin-4-one.
What is the SMILES notation for 1-cyclopropyl-6,7-dimethoxy-5-nitroquinolin-4-one?
The canonical SMILES for 1-cyclopropyl-6,7-dimethoxy-5-nitroquinolin-4-one is COc1cc2c(c([N+](=O)[O-])c1OC)c(=O)ccn2C1CC1.
What is the InChIKey of 1-cyclopropyl-6,7-dimethoxy-5-nitroquinolin-4-one?
The InChIKey is UBKORFIFWWAFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-20-11-7-9-12(13(16(18)19)14(11)21-2)10(17)5-6-15(9)8-3-4-8/h5-8H,3-4H2,1-2H3.
What are the key properties of 1-cyclopropyl-6,7-dimethoxy-5-nitroquinolin-4-one?
1-cyclopropyl-6,7-dimethoxy-5-nitroquinolin-4-one has a molecular weight of 290.28 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6,7-dimethoxy-5-nitroquinolin-4-one is sourced from PubChem (CID 151974709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).