1-iodo-2,2-dimethyl-6-nitroquinoline

C11H11IN2O2 — CID 174515968

IUPAC1-iodo-2,2-dimethyl-6-nitroquinoline
SMILESCC1(C)C=Cc2cc([N+](=O)[O-])ccc2N1I
InChIInChI=1S/C11H11IN2O2/c1-11(2)6-5-8-7-9(14(15)16)3-4-10(8)13(11)12/h3-7H,1-2H3
InChIKeyHQLCGRMDZYUAAC-UHFFFAOYSA-N
MW330.13 g/mol
LogP3.56
Rot. Bonds1

About 1-iodo-2,2-dimethyl-6-nitroquinoline

1-iodo-2,2-dimethyl-6-nitroquinoline (PubChem CID 174515968) has the molecular formula C11H11IN2O2 and a molecular weight of 330.13 g/mol. Its IUPAC name is 1-iodo-2,2-dimethyl-6-nitroquinoline.

Molecular Properties

Compound Name1-iodo-2,2-dimethyl-6-nitroquinoline
PubChem CID174515968
Molecular FormulaC11H11IN2O2
Molecular Weight330.13 g/mol
Exact Mass329.99
IUPAC Name1-iodo-2,2-dimethyl-6-nitroquinoline
SMILESCC1(C)C=Cc2cc([N+](=O)[O-])ccc2N1I
InChIInChI=1S/C11H11IN2O2/c1-11(2)6-5-8-7-9(14(15)16)3-4-10(8)13(11)12/h3-7H,1-2H3
InChIKeyHQLCGRMDZYUAAC-UHFFFAOYSA-N
XLogP3.56
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.13
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-iodo-2,2-dimethyl-6-nitroquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-iodo-1-methyl-5-nitro-2,1-benzothiazole
CID 134938491
ethane;1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]
CID 157271788
1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]-5'-ol
CID 14766372
1',3',3'-trimethyl-5'-nitrospiro[chromene-2,2'-indole]
CID 3007719
1-methyl-6-nitro-2H-quinolin-3-ol
CID 175932717
1,2-dimethyl-4-nitrobenzene;ethane
CID 90784792
4-nitro-1,8-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene
CID 600712
2-(3',3',5'-trimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)acetamide
CID 4031054
(2S)-1,2,3-trimethyl-5-nitro-2-phenylbenzimidazole
CID 7360618
1-(6-nitro-2-propan-2-ylchromen-2-yl)pyrrolidine
CID 67873966
(2R)-6-bromo-1',3',3'-trimethyl-5'-nitrospiro[chromene-2,2'-indole]
CID 7360783
3',4'-dimethyl-6-nitrospiro[chromene-2,2'-indole]
CID 141087850

Frequently Asked Questions

What is the IUPAC name of 1-iodo-2,2-dimethyl-6-nitroquinoline?
The IUPAC name of 1-iodo-2,2-dimethyl-6-nitroquinoline (CID 174515968) is 1-iodo-2,2-dimethyl-6-nitroquinoline.
What is the SMILES notation for 1-iodo-2,2-dimethyl-6-nitroquinoline?
The canonical SMILES for 1-iodo-2,2-dimethyl-6-nitroquinoline is CC1(C)C=Cc2cc([N+](=O)[O-])ccc2N1I.
What is the InChIKey of 1-iodo-2,2-dimethyl-6-nitroquinoline?
The InChIKey is HQLCGRMDZYUAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN2O2/c1-11(2)6-5-8-7-9(14(15)16)3-4-10(8)13(11)12/h3-7H,1-2H3.
What are the key properties of 1-iodo-2,2-dimethyl-6-nitroquinoline?
1-iodo-2,2-dimethyl-6-nitroquinoline has a molecular weight of 330.13 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2,2-dimethyl-6-nitroquinoline is sourced from PubChem (CID 174515968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).