7-chloro-1,4-dihydroquinazolin-2-amine;hydroiodide

C8H9ClIN3 — CID 45266001

IUPAC7-chloro-1,4-dihydroquinazolin-2-amine;hydroiodide
SMILESI.NC1=NCc2ccc(Cl)cc2N1
InChIInChI=1S/C8H8ClN3.HI/c9-6-2-1-5-4-11-8(10)12-7(5)3-6;/h1-3H,4H2,(H3,10,11,12);1H
InChIKeyRTGFHPHIKMTEJB-UHFFFAOYSA-N
MW309.54 g/mol
LogP2.20
Rot. Bonds

About 7-chloro-1,4-dihydroquinazolin-2-amine;hydroiodide

7-chloro-1,4-dihydroquinazolin-2-amine;hydroiodide (PubChem CID 45266001) has the molecular formula C8H9ClIN3 and a molecular weight of 309.54 g/mol. Its IUPAC name is 7-chloro-1,4-dihydroquinazolin-2-amine;hydroiodide.

Molecular Properties

Compound Name7-chloro-1,4-dihydroquinazolin-2-amine;hydroiodide
PubChem CID45266001
Molecular FormulaC8H9ClIN3
Molecular Weight309.54 g/mol
Exact Mass308.95
IUPAC Name7-chloro-1,4-dihydroquinazolin-2-amine;hydroiodide
SMILESI.NC1=NCc2ccc(Cl)cc2N1
InChIInChI=1S/C8H8ClN3.HI/c9-6-2-1-5-4-11-8(10)12-7(5)3-6;/h1-3H,4H2,(H3,10,11,12);1H
InChIKeyRTGFHPHIKMTEJB-UHFFFAOYSA-N
XLogP2.20
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.54
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-5,6-dichloro-3,4-dihydroquinazoline
CID 9904281
7-chloranyl-4-(dimethylamino)-1~{H}-quinazolin-2-one
CID 133054303
1-(3-Chlorophenyl)-6-phenyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
CID 427454
2-Amino-7-chloro-3,4-dihydroquinazoline
CID 10035245
5-Chloro-1,4-dihydroquinazolin-2-amine
CID 13702393
5-Chloro-4-methyl-1,4-dihydroquinazolin-2-amine
CID 16006492
5,6-Dichloro-4-methyl-1,4-dihydroquinazolin-2-amine
CID 16093484
5,6-Dichloro-4-ethyl-1,4-dihydroquinazolin-2-amine
CID 44455943
5-Chloro-4-ethyl-1,4-dihydroquinazolin-2-amine
CID 44455973
1,4-Dihydro-quinazolin-2-ylamine monohydrobromide
CID 45263885
5-Chloro-N,4-dimethyl-1,4-dihydroquinazolin-2-amine
CID 135458392
5-Chloro-N-(2,2-difluoroethyl)-4-methyl-1,4-dihydroquinazolin-2-amine
CID 135458393

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1,4-dihydroquinazolin-2-amine;hydroiodide?
The IUPAC name of 7-chloro-1,4-dihydroquinazolin-2-amine;hydroiodide (CID 45266001) is 7-chloro-1,4-dihydroquinazolin-2-amine;hydroiodide.
What is the SMILES notation for 7-chloro-1,4-dihydroquinazolin-2-amine;hydroiodide?
The canonical SMILES for 7-chloro-1,4-dihydroquinazolin-2-amine;hydroiodide is I.NC1=NCc2ccc(Cl)cc2N1.
What is the InChIKey of 7-chloro-1,4-dihydroquinazolin-2-amine;hydroiodide?
The InChIKey is RTGFHPHIKMTEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3.HI/c9-6-2-1-5-4-11-8(10)12-7(5)3-6;/h1-3H,4H2,(H3,10,11,12);1H.
What are the key properties of 7-chloro-1,4-dihydroquinazolin-2-amine;hydroiodide?
7-chloro-1,4-dihydroquinazolin-2-amine;hydroiodide has a molecular weight of 309.54 g/mol, XLogP of 2.20, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1,4-dihydroquinazolin-2-amine;hydroiodide is sourced from PubChem (CID 45266001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).