1-(6-chloroquinazolin-2-yl)cyclopropan-1-amine;dihydrochloride

C11H12Cl3N3 — CID 141236937

IUPAC1-(6-chloroquinazolin-2-yl)cyclopropan-1-amine;dihydrochloride
SMILESCl.Cl.NC1(c2ncc3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C11H10ClN3.2ClH/c12-8-1-2-9-7(5-8)6-14-10(15-9)11(13)3-4-11;;/h1-2,5-6H,3-4,13H2;2*1H
InChIKeyWQJQKGHEUHGGJS-UHFFFAOYSA-N
MW292.60 g/mol
LogP3.07
Rot. Bonds1

About 1-(6-chloroquinazolin-2-yl)cyclopropan-1-amine;dihydrochloride

1-(6-chloroquinazolin-2-yl)cyclopropan-1-amine;dihydrochloride (PubChem CID 141236937) has the molecular formula C11H12Cl3N3 and a molecular weight of 292.60 g/mol. Its IUPAC name is 1-(6-chloroquinazolin-2-yl)cyclopropan-1-amine;dihydrochloride.

Molecular Properties

Compound Name1-(6-chloroquinazolin-2-yl)cyclopropan-1-amine;dihydrochloride
PubChem CID141236937
Molecular FormulaC11H12Cl3N3
Molecular Weight292.60 g/mol
Exact Mass291.01
IUPAC Name1-(6-chloroquinazolin-2-yl)cyclopropan-1-amine;dihydrochloride
SMILESCl.Cl.NC1(c2ncc3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C11H10ClN3.2ClH/c12-8-1-2-9-7(5-8)6-14-10(15-9)11(13)3-4-11;;/h1-2,5-6H,3-4,13H2;2*1H
InChIKeyWQJQKGHEUHGGJS-UHFFFAOYSA-N
XLogP3.07
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.60
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-(4-chlorophenyl)quinazoline
CID 57333326
1-(6-chloronaphthalen-2-yl)cyclopropan-1-amine
CID 105471892
4-(1-aminocyclopropyl)-6-chloroquinazolin-2-amine
CID 105495563
1-(5-chloro-2-pyridinyl)cyclopropan-1-amine
CID 55264745
1-(5-chloro-1,3-benzothiazol-2-yl)cyclopropan-1-amine
CID 65465187
1-(7-chloroquinazolin-4-yl)cyclopropan-1-amine
CID 105475082
6-chloroquinoline-3-carboxylic acid
CID 14241492
3-(6-chloroquinazolin-2-yl)propan-1-ol
CID 105480030
1-(6-chloro-1,3-benzothiazol-2-yl)cyclopentan-1-amine
CID 79527764
1-(6-chloro-1,3-benzoxazol-2-yl)cyclohexan-1-amine
CID 81433944
1-(5-fluoropyrimidin-2-yl)cyclopropan-1-amine
CID 67291362
1-(6-chloro-1H-benzimidazol-2-yl)cyclohexan-1-amine
CID 61292154

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloroquinazolin-2-yl)cyclopropan-1-amine;dihydrochloride?
The IUPAC name of 1-(6-chloroquinazolin-2-yl)cyclopropan-1-amine;dihydrochloride (CID 141236937) is 1-(6-chloroquinazolin-2-yl)cyclopropan-1-amine;dihydrochloride.
What is the SMILES notation for 1-(6-chloroquinazolin-2-yl)cyclopropan-1-amine;dihydrochloride?
The canonical SMILES for 1-(6-chloroquinazolin-2-yl)cyclopropan-1-amine;dihydrochloride is Cl.Cl.NC1(c2ncc3cc(Cl)ccc3n2)CC1.
What is the InChIKey of 1-(6-chloroquinazolin-2-yl)cyclopropan-1-amine;dihydrochloride?
The InChIKey is WQJQKGHEUHGGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3.2ClH/c12-8-1-2-9-7(5-8)6-14-10(15-9)11(13)3-4-11;;/h1-2,5-6H,3-4,13H2;2*1H.
What are the key properties of 1-(6-chloroquinazolin-2-yl)cyclopropan-1-amine;dihydrochloride?
1-(6-chloroquinazolin-2-yl)cyclopropan-1-amine;dihydrochloride has a molecular weight of 292.60 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloroquinazolin-2-yl)cyclopropan-1-amine;dihydrochloride is sourced from PubChem (CID 141236937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).