7-[(R)-acetamido-(2-chlorophenyl)methyl]-5-nitroquinolin-8-olate

C18H13ClN3O4- — CID 7318945

IUPAC7-[(R)-acetamido-(2-chlorophenyl)methyl]-5-nitroquinolin-8-olate
SMILESCC(=O)N[C@@H](c1ccccc1Cl)c1cc([N+](=O)[O-])c2cccnc2c1[O-]
InChIInChI=1S/C18H14ClN3O4/c1-10(23)21-16(11-5-2-3-7-14(11)19)13-9-15(22(25)26)12-6-4-8-20-17(12)18(13)24/h2-9,16,24H,1H3,(H,21,23)/p-1/t16-/m0/s1
InChIKeyBEJWOTFFISIHGQ-INIZCTEOSA-M
MW370.77 g/mol
LogP3.10
Rot. Bonds4

About 7-[(R)-acetamido-(2-chlorophenyl)methyl]-5-nitroquinolin-8-olate

7-[(R)-acetamido-(2-chlorophenyl)methyl]-5-nitroquinolin-8-olate (PubChem CID 7318945) has the molecular formula C18H13ClN3O4- and a molecular weight of 370.77 g/mol. Its IUPAC name is 7-[(R)-acetamido-(2-chlorophenyl)methyl]-5-nitroquinolin-8-olate.

Molecular Properties

Compound Name7-[(R)-acetamido-(2-chlorophenyl)methyl]-5-nitroquinolin-8-olate
PubChem CID7318945
Molecular FormulaC18H13ClN3O4-
Molecular Weight370.77 g/mol
Exact Mass370.06
IUPAC Name7-[(R)-acetamido-(2-chlorophenyl)methyl]-5-nitroquinolin-8-olate
SMILESCC(=O)N[C@@H](c1ccccc1Cl)c1cc([N+](=O)[O-])c2cccnc2c1[O-]
InChIInChI=1S/C18H14ClN3O4/c1-10(23)21-16(11-5-2-3-7-14(11)19)13-9-15(22(25)26)12-6-4-8-20-17(12)18(13)24/h2-9,16,24H,1H3,(H,21,23)/p-1/t16-/m0/s1
InChIKeyBEJWOTFFISIHGQ-INIZCTEOSA-M
XLogP3.10
TPSA108.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.77
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(3-chlorophenyl)-(8-hydroxy-5-nitroquinolin-7-yl)methyl]acetamide
CID 59201782
7-[(S)-(4-methoxyphenyl)-(propanoylamino)methyl]-5-nitroquinolin-8-olate
CID 7318951
7-[(S)-(2-methylpropanoylamino)-thiophen-2-ylmethyl]-5-nitroquinolin-8-olate
CID 7120585
N-[(R)-(8-hydroxy-5-nitroquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]-2-methylpropanamide
CID 1312452
7-[(R)-(3,4-dimethoxyphenyl)-(propanoylamino)methyl]-5-nitroquinolin-8-olate
CID 7318956
N-[(S)-(4-chlorophenyl)-(8-hydroxy-5-nitroquinolin-7-yl)methyl]propanamide
CID 1084548
N-[(R)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]butanamide
CID 92849369
N-[(R)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]cyclohexanecarboxamide
CID 1320053
N-[(8-hydroxy-5-nitroquinolin-7-yl)-(2-methylphenyl)methyl]-2-phenoxyacetamide
CID 67171815
2-chloro-N-[(5-chloro-8-hydroxyquinolin-7-yl)-(2-chlorophenyl)methyl]acetamide
CID 67171600
N-[(S)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]pentanamide
CID 2294080
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]acetamide
CID 3136129

Frequently Asked Questions

What is the IUPAC name of 7-[(R)-acetamido-(2-chlorophenyl)methyl]-5-nitroquinolin-8-olate?
The IUPAC name of 7-[(R)-acetamido-(2-chlorophenyl)methyl]-5-nitroquinolin-8-olate (CID 7318945) is 7-[(R)-acetamido-(2-chlorophenyl)methyl]-5-nitroquinolin-8-olate.
What is the SMILES notation for 7-[(R)-acetamido-(2-chlorophenyl)methyl]-5-nitroquinolin-8-olate?
The canonical SMILES for 7-[(R)-acetamido-(2-chlorophenyl)methyl]-5-nitroquinolin-8-olate is CC(=O)N[C@@H](c1ccccc1Cl)c1cc([N+](=O)[O-])c2cccnc2c1[O-].
What is the InChIKey of 7-[(R)-acetamido-(2-chlorophenyl)methyl]-5-nitroquinolin-8-olate?
The InChIKey is BEJWOTFFISIHGQ-INIZCTEOSA-M. The full InChI is InChI=1S/C18H14ClN3O4/c1-10(23)21-16(11-5-2-3-7-14(11)19)13-9-15(22(25)26)12-6-4-8-20-17(12)18(13)24/h2-9,16,24H,1H3,(H,21,23)/p-1/t16-/m0/s1.
What are the key properties of 7-[(R)-acetamido-(2-chlorophenyl)methyl]-5-nitroquinolin-8-olate?
7-[(R)-acetamido-(2-chlorophenyl)methyl]-5-nitroquinolin-8-olate has a molecular weight of 370.77 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(R)-acetamido-(2-chlorophenyl)methyl]-5-nitroquinolin-8-olate is sourced from PubChem (CID 7318945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).