(2R)-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]-N-[(1-methylpyrazol-4-yl)methyl]propanamide

C18H20N6O4 — CID 135385524

IUPAC(2R)-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]-N-[(1-methylpyrazol-4-yl)methyl]propanamide
SMILESC[C@@H](Nc1cc(=O)n(C)c2ccc([N+](=O)[O-])cc12)C(=O)NCc1cnn(C)c1
InChIInChI=1S/C18H20N6O4/c1-11(18(26)19-8-12-9-20-22(2)10-12)21-15-7-17(25)23(3)16-5-4-13(24(27)28)6-14(15)16/h4-7,9-11,21H,8H2,1-3H3,(H,19,26)/t11-/m1/s1
InChIKeyOTJAJPUYVLXXPR-LLVKDONJSA-N
MW384.40 g/mol
LogP1.30
Rot. Bonds6

About (2R)-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]-N-[(1-methylpyrazol-4-yl)methyl]propanamide

(2R)-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]-N-[(1-methylpyrazol-4-yl)methyl]propanamide (PubChem CID 135385524) has the molecular formula C18H20N6O4 and a molecular weight of 384.40 g/mol. Its IUPAC name is (2R)-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]-N-[(1-methylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]-N-[(1-methylpyrazol-4-yl)methyl]propanamide
PubChem CID135385524
Molecular FormulaC18H20N6O4
Molecular Weight384.40 g/mol
Exact Mass384.15
IUPAC Name(2R)-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]-N-[(1-methylpyrazol-4-yl)methyl]propanamide
SMILESC[C@@H](Nc1cc(=O)n(C)c2ccc([N+](=O)[O-])cc12)C(=O)NCc1cnn(C)c1
InChIInChI=1S/C18H20N6O4/c1-11(18(26)19-8-12-9-20-22(2)10-12)21-15-7-17(25)23(3)16-5-4-13(24(27)28)6-14(15)16/h4-7,9-11,21H,8H2,1-3H3,(H,19,26)/t11-/m1/s1
InChIKeyOTJAJPUYVLXXPR-LLVKDONJSA-N
XLogP1.30
TPSA124.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-nitro-1H-pyrazol-1-yl)acetamide
CID 4916148
N-benzyl-2-(4-nitropyrazol-1-yl)acetamide
CID 2983141
N-benzyl-4-(4-nitro-1H-pyrazol-1-yl)butanamide
CID 4916308
N-[4-(Diethylamino)-2-methylphenyl]-2-(4,5,6,7-tetrahydro-2H-indazol-2-YL)acetamide
CID 16012182
1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxo-N-(2-phenyl-2-pyrazol-1-ylethyl)pyridine-3-carboxamide
CID 164618127
4-(4-nitro-1H-pyrazol-1-yl)-N-(1-phenylethyl)butanamide
CID 5296242
N-benzyl-2-(4-nitro-1H-pyrazol-1-yl)propanamide
CID 4915878
N-{1-[(isopropylamino)carbonyl]-2-[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]vinyl}benzamide
CID 1935776
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-nitro-1H-pyrazol-1-yl)propanamide
CID 4917202
4-[[1-(1-methylpyrazole-4-carbonyl)-4-piperidyl]amino]-1H-quinolin-2-one
CID 90682475
N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-3-{4-nitrophenyl}acrylamide
CID 844657
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3-(4-nitrophenyl)acrylamide
CID 897141

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of (2R)-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]-N-[(1-methylpyrazol-4-yl)methyl]propanamide (CID 135385524) is (2R)-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]-N-[(1-methylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for (2R)-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for (2R)-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]-N-[(1-methylpyrazol-4-yl)methyl]propanamide is C[C@@H](Nc1cc(=O)n(C)c2ccc([N+](=O)[O-])cc12)C(=O)NCc1cnn(C)c1.
What is the InChIKey of (2R)-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The InChIKey is OTJAJPUYVLXXPR-LLVKDONJSA-N. The full InChI is InChI=1S/C18H20N6O4/c1-11(18(26)19-8-12-9-20-22(2)10-12)21-15-7-17(25)23(3)16-5-4-13(24(27)28)6-14(15)16/h4-7,9-11,21H,8H2,1-3H3,(H,19,26)/t11-/m1/s1.
What are the key properties of (2R)-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
(2R)-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]-N-[(1-methylpyrazol-4-yl)methyl]propanamide has a molecular weight of 384.40 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]-N-[(1-methylpyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 135385524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).