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

C20H26N4O5 — CID 156564875

IUPAC(2R)-N-(4-methoxycyclohexyl)-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]propanamide
SMILESCOC1CCC(NC(=O)[C@@H](C)Nc2cc(=O)n(C)c3ccc([N+](=O)[O-])cc23)CC1
InChIInChI=1S/C20H26N4O5/c1-12(20(26)22-13-4-7-15(29-3)8-5-13)21-17-11-19(25)23(2)18-9-6-14(24(27)28)10-16(17)18/h6,9-13,15,21H,4-5,7-8H2,1-3H3,(H,22,26)/t12-,13?,15?/m1/s1
InChIKeyIDHNFOZKITZCFL-DNOWBOINSA-N
MW402.45 g/mol
LogP2.32
Rot. Bonds6

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

(2R)-N-(4-methoxycyclohexyl)-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]propanamide (PubChem CID 156564875) has the molecular formula C20H26N4O5 and a molecular weight of 402.45 g/mol. Its IUPAC name is (2R)-N-(4-methoxycyclohexyl)-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]propanamide.

Molecular Properties

Compound Name(2R)-N-(4-methoxycyclohexyl)-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]propanamide
PubChem CID156564875
Molecular FormulaC20H26N4O5
Molecular Weight402.45 g/mol
Exact Mass402.19
IUPAC Name(2R)-N-(4-methoxycyclohexyl)-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]propanamide
SMILESCOC1CCC(NC(=O)[C@@H](C)Nc2cc(=O)n(C)c3ccc([N+](=O)[O-])cc23)CC1
InChIInChI=1S/C20H26N4O5/c1-12(20(26)22-13-4-7-15(29-3)8-5-13)21-17-11-19(25)23(2)18-9-6-14(24(27)28)10-16(17)18/h6,9-13,15,21H,4-5,7-8H2,1-3H3,(H,22,26)/t12-,13?,15?/m1/s1
InChIKeyIDHNFOZKITZCFL-DNOWBOINSA-N
XLogP2.32
TPSA115.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 52.32
H-Bond Donors ≤ 52
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

N-ethyl-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]propanamide
CID 142478299
(2R)-2-[(6-amino-1-methyl-2-oxoquinolin-4-yl)amino]-N-cyclopentylpropanamide
CID 156571031
(2R)-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 135385524
4-(ethylamino)-1-methyl-6-nitroquinolin-2-one
CID 135385757
1-methyl-4-[(1-methylcyclopropyl)amino]-6-nitroquinolin-2-one
CID 156564878
1-methyl-4-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethylamino]-6-nitroquinolin-2-one
CID 156564927
1-cyclopropyl-3-(2-methoxy-4-nitrophenyl)urea
CID 108887567
2-(3-cyano-2-nitroanilino)-N-cyclopropylpropanamide
CID 104718036
(2S)-2-(4-cyano-2-nitroanilino)-N-cyclopentylpropanamide
CID 94795882
(2R)-2-(4-cyano-2-nitroanilino)-N-cyclopentylpropanamide
CID 94795883
methyl 3-formyl-1-methyl-5-nitroindole-2-carboxylate
CID 154721985
dimethyl 5-methyl-8-nitro-4-oxo-2H-pyrrolo[3,4-c]quinoline-1,3-dicarboxylate
CID 4980070

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-methoxycyclohexyl)-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]propanamide?
The IUPAC name of (2R)-N-(4-methoxycyclohexyl)-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]propanamide (CID 156564875) is (2R)-N-(4-methoxycyclohexyl)-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]propanamide.
What is the SMILES notation for (2R)-N-(4-methoxycyclohexyl)-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]propanamide?
The canonical SMILES for (2R)-N-(4-methoxycyclohexyl)-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]propanamide is COC1CCC(NC(=O)[C@@H](C)Nc2cc(=O)n(C)c3ccc([N+](=O)[O-])cc23)CC1.
What is the InChIKey of (2R)-N-(4-methoxycyclohexyl)-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]propanamide?
The InChIKey is IDHNFOZKITZCFL-DNOWBOINSA-N. The full InChI is InChI=1S/C20H26N4O5/c1-12(20(26)22-13-4-7-15(29-3)8-5-13)21-17-11-19(25)23(2)18-9-6-14(24(27)28)10-16(17)18/h6,9-13,15,21H,4-5,7-8H2,1-3H3,(H,22,26)/t12-,13?,15?/m1/s1.
What are the key properties of (2R)-N-(4-methoxycyclohexyl)-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]propanamide?
(2R)-N-(4-methoxycyclohexyl)-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]propanamide has a molecular weight of 402.45 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-methoxycyclohexyl)-2-[(1-methyl-6-nitro-2-oxoquinolin-4-yl)amino]propanamide is sourced from PubChem (CID 156564875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).