2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-6-methylpyrido[4,3-d]pyrimidin-5-one;hydrochloride

C22H25ClN8O3 — CID 3064548

IUPAC2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-6-methylpyrido[4,3-d]pyrimidin-5-one;hydrochloride
SMILESCOc1cc2nc(N3CCN(c4ncc5c(=O)n(C)ccc5n4)CC3)nc(N)c2cc1OC.Cl
InChIInChI=1S/C22H24N8O3.ClH/c1-28-5-4-15-14(20(28)31)12-24-21(25-15)29-6-8-30(9-7-29)22-26-16-11-18(33-3)17(32-2)10-13(16)19(23)27-22;/h4-5,10-12H,6-9H2,1-3H3,(H2,23,26,27);1H
InChIKeySWJGTURWQBRRDM-UHFFFAOYSA-N
MW484.95 g/mol
LogP1.62
Rot. Bonds4

About 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-6-methylpyrido[4,3-d]pyrimidin-5-one;hydrochloride

2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-6-methylpyrido[4,3-d]pyrimidin-5-one;hydrochloride (PubChem CID 3064548) has the molecular formula C22H25ClN8O3 and a molecular weight of 484.95 g/mol. Its IUPAC name is 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-6-methylpyrido[4,3-d]pyrimidin-5-one;hydrochloride.

Molecular Properties

Compound Name2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-6-methylpyrido[4,3-d]pyrimidin-5-one;hydrochloride
PubChem CID3064548
Molecular FormulaC22H25ClN8O3
Molecular Weight484.95 g/mol
Exact Mass484.17
IUPAC Name2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-6-methylpyrido[4,3-d]pyrimidin-5-one;hydrochloride
SMILESCOc1cc2nc(N3CCN(c4ncc5c(=O)n(C)ccc5n4)CC3)nc(N)c2cc1OC.Cl
InChIInChI=1S/C22H24N8O3.ClH/c1-28-5-4-15-14(20(28)31)12-24-21(25-15)29-6-8-30(9-7-29)22-26-16-11-18(33-3)17(32-2)10-13(16)19(23)27-22;/h4-5,10-12H,6-9H2,1-3H3,(H2,23,26,27);1H
InChIKeySWJGTURWQBRRDM-UHFFFAOYSA-N
XLogP1.62
TPSA124.52 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.95
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Related Compounds

6,7-dimethoxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-4-amine
CID 3076908
CID 163462957
CID 163462957
1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidine-4-thione
CID 14231098
4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-sulfinate
CID 163462958
1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-(thiadiazol-5-yl)ethanone
CID 163674894
2-(4-cyclopropylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 133299285
2-[4-(2-fluorophenyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine
CID 71683147
2-[4-(dimethylamino)piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine
CID 3031652
2-(4-benzylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride
CID 45259798
2-(4-but-3-ynylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 133453712
2-(4-ethylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 166201599
6-[(2-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one
CID 17190770

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-6-methylpyrido[4,3-d]pyrimidin-5-one;hydrochloride?
The IUPAC name of 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-6-methylpyrido[4,3-d]pyrimidin-5-one;hydrochloride (CID 3064548) is 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-6-methylpyrido[4,3-d]pyrimidin-5-one;hydrochloride.
What is the SMILES notation for 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-6-methylpyrido[4,3-d]pyrimidin-5-one;hydrochloride?
The canonical SMILES for 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-6-methylpyrido[4,3-d]pyrimidin-5-one;hydrochloride is COc1cc2nc(N3CCN(c4ncc5c(=O)n(C)ccc5n4)CC3)nc(N)c2cc1OC.Cl.
What is the InChIKey of 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-6-methylpyrido[4,3-d]pyrimidin-5-one;hydrochloride?
The InChIKey is SWJGTURWQBRRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O3.ClH/c1-28-5-4-15-14(20(28)31)12-24-21(25-15)29-6-8-30(9-7-29)22-26-16-11-18(33-3)17(32-2)10-13(16)19(23)27-22;/h4-5,10-12H,6-9H2,1-3H3,(H2,23,26,27);1H.
What are the key properties of 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-6-methylpyrido[4,3-d]pyrimidin-5-one;hydrochloride?
2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-6-methylpyrido[4,3-d]pyrimidin-5-one;hydrochloride has a molecular weight of 484.95 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-6-methylpyrido[4,3-d]pyrimidin-5-one;hydrochloride is sourced from PubChem (CID 3064548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).