2-[(4-cyclopropylmorpholin-2-yl)methylamino]-6-nitroquinoline-4-carbonitrile

C18H19N5O3 — CID 133320213

IUPAC2-[(4-cyclopropylmorpholin-2-yl)methylamino]-6-nitroquinoline-4-carbonitrile
SMILESN#Cc1cc(NCC2CN(C3CC3)CCO2)nc2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C18H19N5O3/c19-9-12-7-18(21-17-4-3-14(23(24)25)8-16(12)17)20-10-15-11-22(5-6-26-15)13-1-2-13/h3-4,7-8,13,15H,1-2,5-6,10-11H2,(H,20,21)
InChIKeyHXJBLHZORIGUSI-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.29
Rot. Bonds5

About 2-[(4-cyclopropylmorpholin-2-yl)methylamino]-6-nitroquinoline-4-carbonitrile

2-[(4-cyclopropylmorpholin-2-yl)methylamino]-6-nitroquinoline-4-carbonitrile (PubChem CID 133320213) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-[(4-cyclopropylmorpholin-2-yl)methylamino]-6-nitroquinoline-4-carbonitrile.

Molecular Properties

Compound Name2-[(4-cyclopropylmorpholin-2-yl)methylamino]-6-nitroquinoline-4-carbonitrile
PubChem CID133320213
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name2-[(4-cyclopropylmorpholin-2-yl)methylamino]-6-nitroquinoline-4-carbonitrile
SMILESN#Cc1cc(NCC2CN(C3CC3)CCO2)nc2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C18H19N5O3/c19-9-12-7-18(21-17-4-3-14(23(24)25)8-16(12)17)20-10-15-11-22(5-6-26-15)13-1-2-13/h3-4,7-8,13,15H,1-2,5-6,10-11H2,(H,20,21)
InChIKeyHXJBLHZORIGUSI-UHFFFAOYSA-N
XLogP2.29
TPSA104.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(2-methyl-1,3-dioxolan-2-yl)ethylamino]-6-nitroquinoline-4-carbonitrile
CID 133459187
N-[(4-cyclopropylmorpholin-2-yl)methyl]-2-nitroaniline
CID 67501196
2-[[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]amino]-6-nitroquinoline-4-carbonitrile
CID 100894404
2-[(2-cyclopropyloxan-4-yl)amino]-6-nitroquinoline-4-carbonitrile
CID 133473613
[3-[(4-cyclopropylmorpholin-2-yl)methylamino]-4-nitrophenyl]methanol
CID 133437647
4-[[(2R)-4-cyclopropylmorpholin-2-yl]methylamino]benzonitrile
CID 124545796
2-[2-[(1-methylpyrazol-3-yl)amino]ethylamino]-6-nitroquinoline-4-carbonitrile
CID 100710647
6-nitro-2-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]quinoline-4-carbonitrile
CID 133328242
4-[[(4-cyano-6-nitroquinolin-2-yl)amino]methyl]-N-cyclopropylbenzenesulfonamide
CID 133317649
6-nitro-2-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]amino]quinoline-4-carbonitrile
CID 133404584
2-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]-6-nitroquinoline-4-carbonitrile
CID 133406244
6-nitro-2-(2-thiophen-3-ylethylamino)quinoline-4-carbonitrile
CID 133310476

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopropylmorpholin-2-yl)methylamino]-6-nitroquinoline-4-carbonitrile?
The IUPAC name of 2-[(4-cyclopropylmorpholin-2-yl)methylamino]-6-nitroquinoline-4-carbonitrile (CID 133320213) is 2-[(4-cyclopropylmorpholin-2-yl)methylamino]-6-nitroquinoline-4-carbonitrile.
What is the SMILES notation for 2-[(4-cyclopropylmorpholin-2-yl)methylamino]-6-nitroquinoline-4-carbonitrile?
The canonical SMILES for 2-[(4-cyclopropylmorpholin-2-yl)methylamino]-6-nitroquinoline-4-carbonitrile is N#Cc1cc(NCC2CN(C3CC3)CCO2)nc2ccc([N+](=O)[O-])cc12.
What is the InChIKey of 2-[(4-cyclopropylmorpholin-2-yl)methylamino]-6-nitroquinoline-4-carbonitrile?
The InChIKey is HXJBLHZORIGUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c19-9-12-7-18(21-17-4-3-14(23(24)25)8-16(12)17)20-10-15-11-22(5-6-26-15)13-1-2-13/h3-4,7-8,13,15H,1-2,5-6,10-11H2,(H,20,21).
What are the key properties of 2-[(4-cyclopropylmorpholin-2-yl)methylamino]-6-nitroquinoline-4-carbonitrile?
2-[(4-cyclopropylmorpholin-2-yl)methylamino]-6-nitroquinoline-4-carbonitrile has a molecular weight of 353.38 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopropylmorpholin-2-yl)methylamino]-6-nitroquinoline-4-carbonitrile is sourced from PubChem (CID 133320213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).