4-ethylquinazoline-2-carboxamide;dihydrochloride

C11H13Cl2N3O — CID 89487232

IUPAC4-ethylquinazoline-2-carboxamide;dihydrochloride
SMILESCCc1nc(C(N)=O)nc2ccccc12.Cl.Cl
InChIInChI=1S/C11H11N3O.2ClH/c1-2-8-7-5-3-4-6-9(7)14-11(13-8)10(12)15;;/h3-6H,2H2,1H3,(H2,12,15);2*1H
InChIKeyFPFRIVKYMVUWDZ-UHFFFAOYSA-N
MW274.15 g/mol
LogP2.13
Rot. Bonds2

About 4-ethylquinazoline-2-carboxamide;dihydrochloride

4-ethylquinazoline-2-carboxamide;dihydrochloride (PubChem CID 89487232) has the molecular formula C11H13Cl2N3O and a molecular weight of 274.15 g/mol. Its IUPAC name is 4-ethylquinazoline-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-ethylquinazoline-2-carboxamide;dihydrochloride
PubChem CID89487232
Molecular FormulaC11H13Cl2N3O
Molecular Weight274.15 g/mol
Exact Mass273.04
IUPAC Name4-ethylquinazoline-2-carboxamide;dihydrochloride
SMILESCCc1nc(C(N)=O)nc2ccccc12.Cl.Cl
InChIInChI=1S/C11H11N3O.2ClH/c1-2-8-7-5-3-4-6-9(7)14-11(13-8)10(12)15;;/h3-6H,2H2,1H3,(H2,12,15);2*1H
InChIKeyFPFRIVKYMVUWDZ-UHFFFAOYSA-N
XLogP2.13
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethylquinazolin-2-amine
CID 10352174
4-phenylquinazoline-2-carboxamide
CID 14528191
4-ethylquinoline-2-carboxamide
CID 174714299
4-ethyl-2-methylquinoline-3-carboxamide
CID 167809004
4-(1-phenylethylamino)quinazoline-2-carboxamide
CID 173085941
4-chloro-7-(trifluoromethyl)-1H-indole;4-propylquinazoline-2-carboxamide
CID 158606953
4-ethyl-2-hexa-2,4-dienylquinoline-3-carboxamide
CID 173330243
4-[3-(dimethylamino)anilino]quinazoline-2-carboxamide
CID 173217946
[2-(methylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2417862
(1-amino-1-oxopropan-2-yl) 2-ethyl-3-methylquinoline-4-carboxylate
CID 3941582
4-ethoxyquinazoline-2-carboxylic acid
CID 63869088
4-methylquinazoline-2-carboxylic acid
CID 84770673

Frequently Asked Questions

What is the IUPAC name of 4-ethylquinazoline-2-carboxamide;dihydrochloride?
The IUPAC name of 4-ethylquinazoline-2-carboxamide;dihydrochloride (CID 89487232) is 4-ethylquinazoline-2-carboxamide;dihydrochloride.
What is the SMILES notation for 4-ethylquinazoline-2-carboxamide;dihydrochloride?
The canonical SMILES for 4-ethylquinazoline-2-carboxamide;dihydrochloride is CCc1nc(C(N)=O)nc2ccccc12.Cl.Cl.
What is the InChIKey of 4-ethylquinazoline-2-carboxamide;dihydrochloride?
The InChIKey is FPFRIVKYMVUWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O.2ClH/c1-2-8-7-5-3-4-6-9(7)14-11(13-8)10(12)15;;/h3-6H,2H2,1H3,(H2,12,15);2*1H.
What are the key properties of 4-ethylquinazoline-2-carboxamide;dihydrochloride?
4-ethylquinazoline-2-carboxamide;dihydrochloride has a molecular weight of 274.15 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylquinazoline-2-carboxamide;dihydrochloride is sourced from PubChem (CID 89487232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).