6-iodo-N-naphthalen-1-ylquinazolin-4-amine

C18H12IN3 — CID 23797713

IUPAC6-iodo-N-naphthalen-1-ylquinazolin-4-amine
SMILESIc1ccc2ncnc(Nc3cccc4ccccc34)c2c1
InChIInChI=1S/C18H12IN3/c19-13-8-9-16-15(10-13)18(21-11-20-16)22-17-7-3-5-12-4-1-2-6-14(12)17/h1-11H,(H,20,21,22)
InChIKeyIGKNLVKENZAIKH-UHFFFAOYSA-N
MW397.22 g/mol
LogP5.13
Rot. Bonds2

About 6-iodo-N-naphthalen-1-ylquinazolin-4-amine

6-iodo-N-naphthalen-1-ylquinazolin-4-amine (PubChem CID 23797713) has the molecular formula C18H12IN3 and a molecular weight of 397.22 g/mol. Its IUPAC name is 6-iodo-N-naphthalen-1-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-iodo-N-naphthalen-1-ylquinazolin-4-amine
PubChem CID23797713
Molecular FormulaC18H12IN3
Molecular Weight397.22 g/mol
Exact Mass397.01
IUPAC Name6-iodo-N-naphthalen-1-ylquinazolin-4-amine
SMILESIc1ccc2ncnc(Nc3cccc4ccccc34)c2c1
InChIInChI=1S/C18H12IN3/c19-13-8-9-16-15(10-13)18(21-11-20-16)22-17-7-3-5-12-4-1-2-6-14(12)17/h1-11H,(H,20,21,22)
InChIKeyIGKNLVKENZAIKH-UHFFFAOYSA-N
XLogP5.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.22
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6,7-dimethoxy-N-naphthalen-1-ylquinazolin-4-amine;hydrochloride
CID 18770834
6-N-naphthalen-1-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19145076
6-iodo-N-(4-phenoxyphenyl)quinazolin-4-amine
CID 54010523
6-hydrazinyl-4-N-naphthalen-1-ylpyrimidine-4,5-diamine
CID 19145042
N-naphthalen-1-ylisoquinolin-1-amine
CID 3677376
N-[2-[(6-chloroquinazolin-4-yl)amino]ethyl]-N'-naphthalen-1-ylethane-1,2-diamine
CID 67942524
6-fluoro-N-quinolin-8-ylquinazolin-4-amine
CID 110434591
6-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-4,6-diamine
CID 80768828
N',N'-diethyl-N-(6-iodoquinazolin-4-yl)ethane-1,2-diamine
CID 23734239
4-[(6-iodoquinazolin-4-yl)amino]benzoic acid
CID 7137666
2-N-quinazolin-4-ylbenzene-1,2-diamine
CID 21190751
4-N-(4-iodophenyl)quinazoline-4,6-diamine
CID 64588865

Frequently Asked Questions

What is the IUPAC name of 6-iodo-N-naphthalen-1-ylquinazolin-4-amine?
The IUPAC name of 6-iodo-N-naphthalen-1-ylquinazolin-4-amine (CID 23797713) is 6-iodo-N-naphthalen-1-ylquinazolin-4-amine.
What is the SMILES notation for 6-iodo-N-naphthalen-1-ylquinazolin-4-amine?
The canonical SMILES for 6-iodo-N-naphthalen-1-ylquinazolin-4-amine is Ic1ccc2ncnc(Nc3cccc4ccccc34)c2c1.
What is the InChIKey of 6-iodo-N-naphthalen-1-ylquinazolin-4-amine?
The InChIKey is IGKNLVKENZAIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12IN3/c19-13-8-9-16-15(10-13)18(21-11-20-16)22-17-7-3-5-12-4-1-2-6-14(12)17/h1-11H,(H,20,21,22).
What are the key properties of 6-iodo-N-naphthalen-1-ylquinazolin-4-amine?
6-iodo-N-naphthalen-1-ylquinazolin-4-amine has a molecular weight of 397.22 g/mol, XLogP of 5.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-N-naphthalen-1-ylquinazolin-4-amine is sourced from PubChem (CID 23797713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).