6-methyl-4-propan-2-ylquinazoline-2-carboxamide;dihydrochloride

C13H17Cl2N3O — CID 89488507

IUPAC6-methyl-4-propan-2-ylquinazoline-2-carboxamide;dihydrochloride
SMILESCc1ccc2nc(C(N)=O)nc(C(C)C)c2c1.Cl.Cl
InChIInChI=1S/C13H15N3O.2ClH/c1-7(2)11-9-6-8(3)4-5-10(9)15-13(16-11)12(14)17;;/h4-7H,1-3H3,(H2,14,17);2*1H
InChIKeyLINLMCFUFZPSFS-UHFFFAOYSA-N
MW302.21 g/mol
LogP3.00
Rot. Bonds2

About 6-methyl-4-propan-2-ylquinazoline-2-carboxamide;dihydrochloride

6-methyl-4-propan-2-ylquinazoline-2-carboxamide;dihydrochloride (PubChem CID 89488507) has the molecular formula C13H17Cl2N3O and a molecular weight of 302.21 g/mol. Its IUPAC name is 6-methyl-4-propan-2-ylquinazoline-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name6-methyl-4-propan-2-ylquinazoline-2-carboxamide;dihydrochloride
PubChem CID89488507
Molecular FormulaC13H17Cl2N3O
Molecular Weight302.21 g/mol
Exact Mass301.07
IUPAC Name6-methyl-4-propan-2-ylquinazoline-2-carboxamide;dihydrochloride
SMILESCc1ccc2nc(C(N)=O)nc(C(C)C)c2c1.Cl.Cl
InChIInChI=1S/C13H15N3O.2ClH/c1-7(2)11-9-6-8(3)4-5-10(9)15-13(16-11)12(14)17;;/h4-7H,1-3H3,(H2,14,17);2*1H
InChIKeyLINLMCFUFZPSFS-UHFFFAOYSA-N
XLogP3.00
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dimethylquinolin-4-yl)acetamide
CID 82575379
4,6-dimethylquinazoline-2-carboxylic acid
CID 84776717
4-chloro-6-methylquinoline-2-carboxamide
CID 14991372
2,6-dimethyl-N-propan-2-ylquinoline-4-carboxamide
CID 18107936
3-amino-6-methyl-4-(trifluoromethyl)quinoline-2-carboxamide
CID 142268929
6-methyl-2-propan-2-ylquinoline-4-carbothioamide
CID 82448167
N,2,6-trimethyl-N-(2-methylpropyl)quinoline-4-carboxamide
CID 134005859
4-(1-phenylethylamino)quinazoline-2-carboxamide
CID 173085941
2,6-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide
CID 36556980
4-fluoro-6-methyl-2-propan-2-ylquinoline
CID 143840207
N-(1-methoxypropan-2-yl)-2,6-dimethylquinoline-4-carboxamide
CID 18160978
4-ethylquinazoline-2-carboxamide;dihydrochloride
CID 89487232

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-propan-2-ylquinazoline-2-carboxamide;dihydrochloride?
The IUPAC name of 6-methyl-4-propan-2-ylquinazoline-2-carboxamide;dihydrochloride (CID 89488507) is 6-methyl-4-propan-2-ylquinazoline-2-carboxamide;dihydrochloride.
What is the SMILES notation for 6-methyl-4-propan-2-ylquinazoline-2-carboxamide;dihydrochloride?
The canonical SMILES for 6-methyl-4-propan-2-ylquinazoline-2-carboxamide;dihydrochloride is Cc1ccc2nc(C(N)=O)nc(C(C)C)c2c1.Cl.Cl.
What is the InChIKey of 6-methyl-4-propan-2-ylquinazoline-2-carboxamide;dihydrochloride?
The InChIKey is LINLMCFUFZPSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O.2ClH/c1-7(2)11-9-6-8(3)4-5-10(9)15-13(16-11)12(14)17;;/h4-7H,1-3H3,(H2,14,17);2*1H.
What are the key properties of 6-methyl-4-propan-2-ylquinazoline-2-carboxamide;dihydrochloride?
6-methyl-4-propan-2-ylquinazoline-2-carboxamide;dihydrochloride has a molecular weight of 302.21 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-propan-2-ylquinazoline-2-carboxamide;dihydrochloride is sourced from PubChem (CID 89488507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).