2-amino-6-methyl-5-pyridin-4-yl-3H-quinazolin-4-one;dihydrochloride

C14H14Cl2N4O — CID 162327470

IUPAC2-amino-6-methyl-5-pyridin-4-yl-3H-quinazolin-4-one;dihydrochloride
SMILESCc1ccc2nc(N)[nH]c(=O)c2c1-c1ccncc1.Cl.Cl
InChIInChI=1S/C14H12N4O.2ClH/c1-8-2-3-10-12(13(19)18-14(15)17-10)11(8)9-4-6-16-7-5-9;;/h2-7H,1H3,(H3,15,17,18,19);2*1H
InChIKeyXBQMOBIKBVWVRB-UHFFFAOYSA-N
MW325.20 g/mol
LogP2.72
Rot. Bonds1

About 2-amino-6-methyl-5-pyridin-4-yl-3H-quinazolin-4-one;dihydrochloride

2-amino-6-methyl-5-pyridin-4-yl-3H-quinazolin-4-one;dihydrochloride (PubChem CID 162327470) has the molecular formula C14H14Cl2N4O and a molecular weight of 325.20 g/mol. Its IUPAC name is 2-amino-6-methyl-5-pyridin-4-yl-3H-quinazolin-4-one;dihydrochloride.

Molecular Properties

Compound Name2-amino-6-methyl-5-pyridin-4-yl-3H-quinazolin-4-one;dihydrochloride
PubChem CID162327470
Molecular FormulaC14H14Cl2N4O
Molecular Weight325.20 g/mol
Exact Mass324.05
IUPAC Name2-amino-6-methyl-5-pyridin-4-yl-3H-quinazolin-4-one;dihydrochloride
SMILESCc1ccc2nc(N)[nH]c(=O)c2c1-c1ccncc1.Cl.Cl
InChIInChI=1S/C14H12N4O.2ClH/c1-8-2-3-10-12(13(19)18-14(15)17-10)11(8)9-4-6-16-7-5-9;;/h2-7H,1H3,(H3,15,17,18,19);2*1H
InChIKeyXBQMOBIKBVWVRB-UHFFFAOYSA-N
XLogP2.72
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-6-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one;hydron;dichloride
CID 135878881
2-amino-6-methyl-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 137275792
2-amino-6-bromo-5-methoxy-3H-quinazolin-4-one;trihydrate
CID 137314152
2-amino-5-(4-bromophenyl)-6-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 137300511
2-amino-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;hydrochloride
CID 165438335
6-methyl-5-(4-methylphenyl)-3H-quinazolin-4-one
CID 162429521
2-amino-5-(3,4-dimethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 82055590
2,4-diamino-5-phenyl-1H-pyrimidin-6-one
CID 135448367
2-(2-amino-4-methyl-3-phenylphenoxy)-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137286843
2-amino-5-pyridin-4-yl-1H-pyrimidin-6-one
CID 117260877
3-amino-9-ethoxy-2H-benzo[f]quinazolin-1-one
CID 135838153
2-amino-5,7-dimethyl-8-phenyl-3H-pyrido[2,3-d]pyrimidin-8-ium-4-one
CID 135710682

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-5-pyridin-4-yl-3H-quinazolin-4-one;dihydrochloride?
The IUPAC name of 2-amino-6-methyl-5-pyridin-4-yl-3H-quinazolin-4-one;dihydrochloride (CID 162327470) is 2-amino-6-methyl-5-pyridin-4-yl-3H-quinazolin-4-one;dihydrochloride.
What is the SMILES notation for 2-amino-6-methyl-5-pyridin-4-yl-3H-quinazolin-4-one;dihydrochloride?
The canonical SMILES for 2-amino-6-methyl-5-pyridin-4-yl-3H-quinazolin-4-one;dihydrochloride is Cc1ccc2nc(N)[nH]c(=O)c2c1-c1ccncc1.Cl.Cl.
What is the InChIKey of 2-amino-6-methyl-5-pyridin-4-yl-3H-quinazolin-4-one;dihydrochloride?
The InChIKey is XBQMOBIKBVWVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O.2ClH/c1-8-2-3-10-12(13(19)18-14(15)17-10)11(8)9-4-6-16-7-5-9;;/h2-7H,1H3,(H3,15,17,18,19);2*1H.
What are the key properties of 2-amino-6-methyl-5-pyridin-4-yl-3H-quinazolin-4-one;dihydrochloride?
2-amino-6-methyl-5-pyridin-4-yl-3H-quinazolin-4-one;dihydrochloride has a molecular weight of 325.20 g/mol, XLogP of 2.72, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-5-pyridin-4-yl-3H-quinazolin-4-one;dihydrochloride is sourced from PubChem (CID 162327470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).