3-quinolin-5-yl-1λ3-ioda-2,4-diazacyclopenta-3,5-dien-2-amine

C11H9IN4 — CID 146871098

IUPAC3-quinolin-5-yl-1λ3-ioda-2,4-diazacyclopenta-3,5-dien-2-amine
SMILESNN1I=CN=C1c1cccc2ncccc12
InChIInChI=1S/C11H9IN4/c13-16-11(15-7-12-16)9-3-1-5-10-8(9)4-2-6-14-10/h1-7H,13H2
InChIKeySOAYZYGWCAGJCU-UHFFFAOYSA-N
MW324.12 g/mol
LogP1.82
Rot. Bonds1

About 3-quinolin-5-yl-1λ3-ioda-2,4-diazacyclopenta-3,5-dien-2-amine

3-quinolin-5-yl-1λ3-ioda-2,4-diazacyclopenta-3,5-dien-2-amine (PubChem CID 146871098) has the molecular formula C11H9IN4 and a molecular weight of 324.12 g/mol. Its IUPAC name is 3-quinolin-5-yl-1λ3-ioda-2,4-diazacyclopenta-3,5-dien-2-amine.

Molecular Properties

Compound Name3-quinolin-5-yl-1λ3-ioda-2,4-diazacyclopenta-3,5-dien-2-amine
PubChem CID146871098
Molecular FormulaC11H9IN4
Molecular Weight324.12 g/mol
Exact Mass323.99
IUPAC Name3-quinolin-5-yl-1λ3-ioda-2,4-diazacyclopenta-3,5-dien-2-amine
SMILESNN1I=CN=C1c1cccc2ncccc12
InChIInChI=1S/C11H9IN4/c13-16-11(15-7-12-16)9-3-1-5-10-8(9)4-2-6-14-10/h1-7H,13H2
InChIKeySOAYZYGWCAGJCU-UHFFFAOYSA-N
XLogP1.82
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.12
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

14-(2-quinolin-5-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 122435680
4-amino-3-quinolin-5-yl-1H-1,2,4-triazole-5-thione
CID 62876398
(2-quinolin-5-ylphenyl)methanamine
CID 81224360
4-methyl-5-quinolin-5-ylpyridin-2-amine
CID 81224128
5-(2,3-difluorophenyl)quinoline
CID 167880208
5-[amino(quinolin-5-yloxy)phosphanyl]oxyquinoline
CID 175462388
O-quinolin-5-ylhydroxylamine;hydrochloride
CID 162421843
5-(furan-2-yl)quinoline
CID 135387674
5-(3-methyl-5-quinolin-5-ylphenyl)quinoline
CID 144553990
(2-quinolin-5-ylphenyl)methanol
CID 172649381
5-(3,5-difluorophenyl)quinoline
CID 166308460
CID 175088616
CID 175088616

Frequently Asked Questions

What is the IUPAC name of 3-quinolin-5-yl-1λ3-ioda-2,4-diazacyclopenta-3,5-dien-2-amine?
The IUPAC name of 3-quinolin-5-yl-1λ3-ioda-2,4-diazacyclopenta-3,5-dien-2-amine (CID 146871098) is 3-quinolin-5-yl-1λ3-ioda-2,4-diazacyclopenta-3,5-dien-2-amine.
What is the SMILES notation for 3-quinolin-5-yl-1λ3-ioda-2,4-diazacyclopenta-3,5-dien-2-amine?
The canonical SMILES for 3-quinolin-5-yl-1λ3-ioda-2,4-diazacyclopenta-3,5-dien-2-amine is NN1I=CN=C1c1cccc2ncccc12.
What is the InChIKey of 3-quinolin-5-yl-1λ3-ioda-2,4-diazacyclopenta-3,5-dien-2-amine?
The InChIKey is SOAYZYGWCAGJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IN4/c13-16-11(15-7-12-16)9-3-1-5-10-8(9)4-2-6-14-10/h1-7H,13H2.
What are the key properties of 3-quinolin-5-yl-1λ3-ioda-2,4-diazacyclopenta-3,5-dien-2-amine?
3-quinolin-5-yl-1λ3-ioda-2,4-diazacyclopenta-3,5-dien-2-amine has a molecular weight of 324.12 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-quinolin-5-yl-1λ3-ioda-2,4-diazacyclopenta-3,5-dien-2-amine is sourced from PubChem (CID 146871098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).