N-[(R)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]cyclohexanecarboxamide

C24H25N3O5 — CID 1320053

IUPACN-[(R)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]cyclohexanecarboxamide
SMILESCOc1ccccc1[C@H](NC(=O)C1CCCCC1)c1cc([N+](=O)[O-])c2cccnc2c1O
InChIInChI=1S/C24H25N3O5/c1-32-20-12-6-5-10-17(20)21(26-24(29)15-8-3-2-4-9-15)18-14-19(27(30)31)16-11-7-13-25-22(16)23(18)28/h5-7,10-15,21,28H,2-4,8-9H2,1H3,(H,26,29)/t21-/m0/s1
InChIKeySYSRZIFLYNKDGZ-NRFANRHFSA-N
MW435.48 g/mol
LogP4.64
Rot. Bonds6

About N-[(R)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]cyclohexanecarboxamide

N-[(R)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]cyclohexanecarboxamide (PubChem CID 1320053) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is N-[(R)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(R)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]cyclohexanecarboxamide
PubChem CID1320053
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC NameN-[(R)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]cyclohexanecarboxamide
SMILESCOc1ccccc1[C@H](NC(=O)C1CCCCC1)c1cc([N+](=O)[O-])c2cccnc2c1O
InChIInChI=1S/C24H25N3O5/c1-32-20-12-6-5-10-17(20)21(26-24(29)15-8-3-2-4-9-15)18-14-19(27(30)31)16-11-7-13-25-22(16)23(18)28/h5-7,10-15,21,28H,2-4,8-9H2,1H3,(H,26,29)/t21-/m0/s1
InChIKeySYSRZIFLYNKDGZ-NRFANRHFSA-N
XLogP4.64
TPSA114.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(R)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]butanamide
CID 92849369
N-[(S)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]pentanamide
CID 2294080
1-cyclobutyl-3-[(8-hydroxy-5-nitroquinolin-7-yl)-(4-methoxyphenyl)methyl]urea
CID 171504695
N-[(3,4-dimethoxyphenyl)-(8-hydroxy-5-nitroquinolin-7-yl)methyl]propanamide
CID 2920281
N-[(8-hydroxy-5-nitroquinolin-7-yl)-(2-methylphenyl)methyl]-2-phenoxyacetamide
CID 67171815
tert-butyl N-[(8-hydroxy-5-nitroquinolin-7-yl)-(4-methoxyphenyl)methyl]carbamate
CID 171504697
N-[(R)-(8-hydroxy-5-nitroquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]-2-methylpropanamide
CID 1312452
N-cyclohexyl-8-hydroxy-5-nitroquinoline-7-carboxamide
CID 171343179
N-[(S)-(4-chlorophenyl)-(8-hydroxy-5-nitroquinolin-7-yl)methyl]propanamide
CID 1084548
N-[(3-chlorophenyl)-(8-hydroxy-5-nitroquinolin-7-yl)methyl]acetamide
CID 59201782
7-[(R)-acetamido-(2-chlorophenyl)methyl]-5-nitroquinolin-8-olate
CID 7318945
N-[(R)-(2-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
CID 171097068

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]cyclohexanecarboxamide?
The IUPAC name of N-[(R)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]cyclohexanecarboxamide (CID 1320053) is N-[(R)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(R)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(R)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]cyclohexanecarboxamide is COc1ccccc1[C@H](NC(=O)C1CCCCC1)c1cc([N+](=O)[O-])c2cccnc2c1O.
What is the InChIKey of N-[(R)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]cyclohexanecarboxamide?
The InChIKey is SYSRZIFLYNKDGZ-NRFANRHFSA-N. The full InChI is InChI=1S/C24H25N3O5/c1-32-20-12-6-5-10-17(20)21(26-24(29)15-8-3-2-4-9-15)18-14-19(27(30)31)16-11-7-13-25-22(16)23(18)28/h5-7,10-15,21,28H,2-4,8-9H2,1H3,(H,26,29)/t21-/m0/s1.
What are the key properties of N-[(R)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]cyclohexanecarboxamide?
N-[(R)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]cyclohexanecarboxamide has a molecular weight of 435.48 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]cyclohexanecarboxamide is sourced from PubChem (CID 1320053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).