(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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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).