2-(7-chloro-1H-indol-3-yl)-5-nitroquinoline

C17H10ClN3O2 — CID 118449945

IUPAC2-(7-chloro-1H-indol-3-yl)-5-nitroquinoline
SMILESO=[N+]([O-])c1cccc2nc(-c3c[nH]c4c(Cl)cccc34)ccc12
InChIInChI=1S/C17H10ClN3O2/c18-13-4-1-3-10-12(9-19-17(10)13)15-8-7-11-14(20-15)5-2-6-16(11)21(22)23/h1-9,19H
InChIKeyOYJPTPXWZMBDHP-UHFFFAOYSA-N
MW323.74 g/mol
LogP4.94
Rot. Bonds2

About 2-(7-chloro-1H-indol-3-yl)-5-nitroquinoline

2-(7-chloro-1H-indol-3-yl)-5-nitroquinoline (PubChem CID 118449945) has the molecular formula C17H10ClN3O2 and a molecular weight of 323.74 g/mol. Its IUPAC name is 2-(7-chloro-1H-indol-3-yl)-5-nitroquinoline.

Molecular Properties

Compound Name2-(7-chloro-1H-indol-3-yl)-5-nitroquinoline
PubChem CID118449945
Molecular FormulaC17H10ClN3O2
Molecular Weight323.74 g/mol
Exact Mass323.05
IUPAC Name2-(7-chloro-1H-indol-3-yl)-5-nitroquinoline
SMILESO=[N+]([O-])c1cccc2nc(-c3c[nH]c4c(Cl)cccc34)ccc12
InChIInChI=1S/C17H10ClN3O2/c18-13-4-1-3-10-12(9-19-17(10)13)15-8-7-11-14(20-15)5-2-6-16(11)21(22)23/h1-9,19H
InChIKeyOYJPTPXWZMBDHP-UHFFFAOYSA-N
XLogP4.94
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.74
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-(7-chloro-1H-indol-3-yl)quinoline
CID 118449837
5-chloro-2-(7-methyl-1H-indol-3-yl)quinoline
CID 118449891
2-(7-chloro-5-fluoro-1H-indol-3-yl)quinoline-5-carboxylic acid
CID 118449027
2-(2,4-dichlorophenyl)-4-nitroquinoline
CID 101421541
5-chloro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline
CID 118449738
2-(6-bromoquinolin-3-yl)-5-nitroquinoline
CID 12012860
2-[2-[5-(2,3-dichlorophenyl)furan-2-yl]ethenyl]-5-nitroquinoline
CID 3876576
3-(2-chlorophenyl)-2-(2-nitrophenyl)quinazolin-4-one
CID 1417209
CID 88627944
CID 88627944
N-ethyl-5-nitroquinolin-2-amine
CID 59551851
3,4-bis(7-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylate
CID 45266842
1,5,9-trinitrotriphenylene
CID 86227277

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1H-indol-3-yl)-5-nitroquinoline?
The IUPAC name of 2-(7-chloro-1H-indol-3-yl)-5-nitroquinoline (CID 118449945) is 2-(7-chloro-1H-indol-3-yl)-5-nitroquinoline.
What is the SMILES notation for 2-(7-chloro-1H-indol-3-yl)-5-nitroquinoline?
The canonical SMILES for 2-(7-chloro-1H-indol-3-yl)-5-nitroquinoline is O=[N+]([O-])c1cccc2nc(-c3c[nH]c4c(Cl)cccc34)ccc12.
What is the InChIKey of 2-(7-chloro-1H-indol-3-yl)-5-nitroquinoline?
The InChIKey is OYJPTPXWZMBDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClN3O2/c18-13-4-1-3-10-12(9-19-17(10)13)15-8-7-11-14(20-15)5-2-6-16(11)21(22)23/h1-9,19H.
What are the key properties of 2-(7-chloro-1H-indol-3-yl)-5-nitroquinoline?
2-(7-chloro-1H-indol-3-yl)-5-nitroquinoline has a molecular weight of 323.74 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1H-indol-3-yl)-5-nitroquinoline is sourced from PubChem (CID 118449945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).