N-(2-cyclopropyloxan-4-yl)-6-nitroquinolin-2-amine

C17H19N3O3 — CID 133473708

IUPACN-(2-cyclopropyloxan-4-yl)-6-nitroquinolin-2-amine
SMILESO=[N+]([O-])c1ccc2nc(NC3CCOC(C4CC4)C3)ccc2c1
InChIInChI=1S/C17H19N3O3/c21-20(22)14-4-5-15-12(9-14)3-6-17(19-15)18-13-7-8-23-16(10-13)11-1-2-11/h3-6,9,11,13,16H,1-2,7-8,10H2,(H,18,19)
InChIKeySEJTYEYFTZLAQH-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.51
Rot. Bonds4

About N-(2-cyclopropyloxan-4-yl)-6-nitroquinolin-2-amine

N-(2-cyclopropyloxan-4-yl)-6-nitroquinolin-2-amine (PubChem CID 133473708) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(2-cyclopropyloxan-4-yl)-6-nitroquinolin-2-amine.

Molecular Properties

Compound NameN-(2-cyclopropyloxan-4-yl)-6-nitroquinolin-2-amine
PubChem CID133473708
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-(2-cyclopropyloxan-4-yl)-6-nitroquinolin-2-amine
SMILESO=[N+]([O-])c1ccc2nc(NC3CCOC(C4CC4)C3)ccc2c1
InChIInChI=1S/C17H19N3O3/c21-20(22)14-4-5-15-12(9-14)3-6-17(19-15)18-13-7-8-23-16(10-13)11-1-2-11/h3-6,9,11,13,16H,1-2,7-8,10H2,(H,18,19)
InChIKeySEJTYEYFTZLAQH-UHFFFAOYSA-N
XLogP3.51
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.51
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

2-[(2-cyclopropyloxan-4-yl)amino]-6-nitroquinoline-4-carbonitrile
CID 133473613
N-(2-cyclopropyloxan-4-yl)-2-methyl-6-nitroquinolin-4-amine
CID 133473539
6-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)quinolin-2-amine
CID 80611490
N-(2-cyclopropyloxan-4-yl)-5-nitro-6-phenylmethoxypyridin-2-amine
CID 133473473
N-(2-cyclopropyloxan-4-yl)-3-methyl-5-nitropyridin-2-amine
CID 133473587
2-[(2-cyclopropyloxan-4-yl)amino]-5-nitropyridine-3-carboxamide
CID 133473749
N-(1-benzylsulfonylpiperidin-4-yl)-6-nitroquinolin-2-amine
CID 133306596
cyclopentyl-[3-[(6-nitroquinolin-2-yl)amino]pyrrolidin-1-yl]methanone
CID 133366889
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-6-nitroquinolin-2-amine
CID 68628643
2-cyclopropyl-N-(4-iodo-2-nitrophenyl)oxan-4-amine
CID 133473641
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-6-nitroquinolin-2-amine
CID 133459148
N-(1-methylcyclopropyl)-6-nitroquinolin-2-amine
CID 113485576

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyloxan-4-yl)-6-nitroquinolin-2-amine?
The IUPAC name of N-(2-cyclopropyloxan-4-yl)-6-nitroquinolin-2-amine (CID 133473708) is N-(2-cyclopropyloxan-4-yl)-6-nitroquinolin-2-amine.
What is the SMILES notation for N-(2-cyclopropyloxan-4-yl)-6-nitroquinolin-2-amine?
The canonical SMILES for N-(2-cyclopropyloxan-4-yl)-6-nitroquinolin-2-amine is O=[N+]([O-])c1ccc2nc(NC3CCOC(C4CC4)C3)ccc2c1.
What is the InChIKey of N-(2-cyclopropyloxan-4-yl)-6-nitroquinolin-2-amine?
The InChIKey is SEJTYEYFTZLAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c21-20(22)14-4-5-15-12(9-14)3-6-17(19-15)18-13-7-8-23-16(10-13)11-1-2-11/h3-6,9,11,13,16H,1-2,7-8,10H2,(H,18,19).
What are the key properties of N-(2-cyclopropyloxan-4-yl)-6-nitroquinolin-2-amine?
N-(2-cyclopropyloxan-4-yl)-6-nitroquinolin-2-amine has a molecular weight of 313.36 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyloxan-4-yl)-6-nitroquinolin-2-amine is sourced from PubChem (CID 133473708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).