[3-[3-[(2,6-dimethoxyphenyl)methyl]-4H-quinazolin-2-yl]-2-pyridinyl]methanamine;hydrochloride

C23H25ClN4O2 — CID 68546514

IUPAC[3-[3-[(2,6-dimethoxyphenyl)methyl]-4H-quinazolin-2-yl]-2-pyridinyl]methanamine;hydrochloride
SMILESCOc1cccc(OC)c1CN1Cc2ccccc2N=C1c1cccnc1CN.Cl
InChIInChI=1S/C23H24N4O2.ClH/c1-28-21-10-5-11-22(29-2)18(21)15-27-14-16-7-3-4-9-19(16)26-23(27)17-8-6-12-25-20(17)13-24;/h3-12H,13-15,24H2,1-2H3;1H
InChIKeyJGUCZDAGRMKCHR-UHFFFAOYSA-N
MW424.93 g/mol
LogP4.07
Rot. Bonds6

About [3-[3-[(2,6-dimethoxyphenyl)methyl]-4H-quinazolin-2-yl]-2-pyridinyl]methanamine;hydrochloride

[3-[3-[(2,6-dimethoxyphenyl)methyl]-4H-quinazolin-2-yl]-2-pyridinyl]methanamine;hydrochloride (PubChem CID 68546514) has the molecular formula C23H25ClN4O2 and a molecular weight of 424.93 g/mol. Its IUPAC name is [3-[3-[(2,6-dimethoxyphenyl)methyl]-4H-quinazolin-2-yl]-2-pyridinyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-[3-[(2,6-dimethoxyphenyl)methyl]-4H-quinazolin-2-yl]-2-pyridinyl]methanamine;hydrochloride
PubChem CID68546514
Molecular FormulaC23H25ClN4O2
Molecular Weight424.93 g/mol
Exact Mass424.17
IUPAC Name[3-[3-[(2,6-dimethoxyphenyl)methyl]-4H-quinazolin-2-yl]-2-pyridinyl]methanamine;hydrochloride
SMILESCOc1cccc(OC)c1CN1Cc2ccccc2N=C1c1cccnc1CN.Cl
InChIInChI=1S/C23H24N4O2.ClH/c1-28-21-10-5-11-22(29-2)18(21)15-27-14-16-7-3-4-9-19(16)26-23(27)17-8-6-12-25-20(17)13-24;/h3-12H,13-15,24H2,1-2H3;1H
InChIKeyJGUCZDAGRMKCHR-UHFFFAOYSA-N
XLogP4.07
TPSA72.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[3-[(2,6-dimethoxyphenyl)methyl]-4H-quinazolin-2-yl]-2-pyridinyl]methanamine;hydrochloride?
The IUPAC name of [3-[3-[(2,6-dimethoxyphenyl)methyl]-4H-quinazolin-2-yl]-2-pyridinyl]methanamine;hydrochloride (CID 68546514) is [3-[3-[(2,6-dimethoxyphenyl)methyl]-4H-quinazolin-2-yl]-2-pyridinyl]methanamine;hydrochloride.
What is the SMILES notation for [3-[3-[(2,6-dimethoxyphenyl)methyl]-4H-quinazolin-2-yl]-2-pyridinyl]methanamine;hydrochloride?
The canonical SMILES for [3-[3-[(2,6-dimethoxyphenyl)methyl]-4H-quinazolin-2-yl]-2-pyridinyl]methanamine;hydrochloride is COc1cccc(OC)c1CN1Cc2ccccc2N=C1c1cccnc1CN.Cl.
What is the InChIKey of [3-[3-[(2,6-dimethoxyphenyl)methyl]-4H-quinazolin-2-yl]-2-pyridinyl]methanamine;hydrochloride?
The InChIKey is JGUCZDAGRMKCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2.ClH/c1-28-21-10-5-11-22(29-2)18(21)15-27-14-16-7-3-4-9-19(16)26-23(27)17-8-6-12-25-20(17)13-24;/h3-12H,13-15,24H2,1-2H3;1H.
What are the key properties of [3-[3-[(2,6-dimethoxyphenyl)methyl]-4H-quinazolin-2-yl]-2-pyridinyl]methanamine;hydrochloride?
[3-[3-[(2,6-dimethoxyphenyl)methyl]-4H-quinazolin-2-yl]-2-pyridinyl]methanamine;hydrochloride has a molecular weight of 424.93 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[(2,6-dimethoxyphenyl)methyl]-4H-quinazolin-2-yl]-2-pyridinyl]methanamine;hydrochloride is sourced from PubChem (CID 68546514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).