1-methyl-4-[(1-methylcyclopropyl)amino]-6-nitroquinolin-2-one

C14H15N3O3 — CID 156564878

IUPAC1-methyl-4-[(1-methylcyclopropyl)amino]-6-nitroquinolin-2-one
SMILESCn1c(=O)cc(NC2(C)CC2)c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C14H15N3O3/c1-14(5-6-14)15-11-8-13(18)16(2)12-4-3-9(17(19)20)7-10(11)12/h3-4,7-8,15H,5-6H2,1-2H3
InChIKeyQHESHGOEMFNWMY-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.41
Rot. Bonds3

About 1-methyl-4-[(1-methylcyclopropyl)amino]-6-nitroquinolin-2-one

1-methyl-4-[(1-methylcyclopropyl)amino]-6-nitroquinolin-2-one (PubChem CID 156564878) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 1-methyl-4-[(1-methylcyclopropyl)amino]-6-nitroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-4-[(1-methylcyclopropyl)amino]-6-nitroquinolin-2-one
PubChem CID156564878
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name1-methyl-4-[(1-methylcyclopropyl)amino]-6-nitroquinolin-2-one
SMILESCn1c(=O)cc(NC2(C)CC2)c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C14H15N3O3/c1-14(5-6-14)15-11-8-13(18)16(2)12-4-3-9(17(19)20)7-10(11)12/h3-4,7-8,15H,5-6H2,1-2H3
InChIKeyQHESHGOEMFNWMY-UHFFFAOYSA-N
XLogP2.41
TPSA77.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
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

4-(ethylamino)-1-methyl-6-nitroquinolin-2-one
CID 135385757
N-ethyl-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]propanamide
CID 142478299
1-methyl-4-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethylamino]-6-nitroquinolin-2-one
CID 156564927
1,3-dimethyl-6-nitroquinazoline-2,4-dione
CID 12666513
(2R)-N-(4-methoxycyclohexyl)-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]propanamide
CID 156564875
(2R)-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 135385524
2,5-dimethyl-8-nitro-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 82232102
9-methyl-6-nitrocarbazole-3-carbaldehyde
CID 23559399
methyl 3-formyl-1-methyl-5-nitroindole-2-carboxylate
CID 154721985
(NE)-N-[(1,2-dimethyl-5-nitroindol-3-yl)methylidene]hydroxylamine
CID 6872352
4-methyl-7-(4-nitrophenyl)-1,2-dihydrocyclopenta[b]indol-3-one
CID 54763291
9-methoxy-3,6-dinitrocarbazole
CID 155908521

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(1-methylcyclopropyl)amino]-6-nitroquinolin-2-one?
The IUPAC name of 1-methyl-4-[(1-methylcyclopropyl)amino]-6-nitroquinolin-2-one (CID 156564878) is 1-methyl-4-[(1-methylcyclopropyl)amino]-6-nitroquinolin-2-one.
What is the SMILES notation for 1-methyl-4-[(1-methylcyclopropyl)amino]-6-nitroquinolin-2-one?
The canonical SMILES for 1-methyl-4-[(1-methylcyclopropyl)amino]-6-nitroquinolin-2-one is Cn1c(=O)cc(NC2(C)CC2)c2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 1-methyl-4-[(1-methylcyclopropyl)amino]-6-nitroquinolin-2-one?
The InChIKey is QHESHGOEMFNWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-14(5-6-14)15-11-8-13(18)16(2)12-4-3-9(17(19)20)7-10(11)12/h3-4,7-8,15H,5-6H2,1-2H3.
What are the key properties of 1-methyl-4-[(1-methylcyclopropyl)amino]-6-nitroquinolin-2-one?
1-methyl-4-[(1-methylcyclopropyl)amino]-6-nitroquinolin-2-one has a molecular weight of 273.29 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(1-methylcyclopropyl)amino]-6-nitroquinolin-2-one is sourced from PubChem (CID 156564878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).