2-methyl-4-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine

C23H25N7O — CID 126895263

IUPAC2-methyl-4-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine
SMILESCc1nc(N2CCN(c3ccc4ncnc(OC(C)C)c4c3)CC2)c2ccncc2n1
InChIInChI=1S/C23H25N7O/c1-15(2)31-23-19-12-17(4-5-20(19)25-14-26-23)29-8-10-30(11-9-29)22-18-6-7-24-13-21(18)27-16(3)28-22/h4-7,12-15H,8-11H2,1-3H3
InChIKeyLKPLITZIEKOOFE-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.39
Rot. Bonds4

About 2-methyl-4-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine

2-methyl-4-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine (PubChem CID 126895263) has the molecular formula C23H25N7O and a molecular weight of 415.50 g/mol. Its IUPAC name is 2-methyl-4-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine
PubChem CID126895263
Molecular FormulaC23H25N7O
Molecular Weight415.50 g/mol
Exact Mass415.21
IUPAC Name2-methyl-4-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine
SMILESCc1nc(N2CCN(c3ccc4ncnc(OC(C)C)c4c3)CC2)c2ccncc2n1
InChIInChI=1S/C23H25N7O/c1-15(2)31-23-19-12-17(4-5-20(19)25-14-26-23)29-8-10-30(11-9-29)22-18-6-7-24-13-21(18)27-16(3)28-22/h4-7,12-15H,8-11H2,1-3H3
InChIKeyLKPLITZIEKOOFE-UHFFFAOYSA-N
XLogP3.39
TPSA80.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-methyl-4-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine with MolForge

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Related Compounds

6-(4-methylpiperazin-1-yl)-4-propan-2-yloxyquinazoline
CID 126895251
3-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 126895037
6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-4-propan-2-yloxyquinazoline
CID 126895043
1-methyl-5-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]pyrrolidin-2-one
CID 126895198
(5-methyl-1,2-oxazol-3-yl)-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methanone
CID 126894977
2,5-dimethyl-6-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-4-one
CID 126895258
4-methoxy-6-[4-(3-methylpyrazin-2-yl)piperazin-1-yl]quinazoline
CID 126894723
2-methyl-4-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine
CID 155976620
2-(2-methyl-1,3-thiazol-5-yl)-1-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]ethanone
CID 126895013
3-propan-2-yl-5-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 126895053
3-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]piperidin-2-one
CID 126895204
2-methyl-4-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine
CID 154853620

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine?
The IUPAC name of 2-methyl-4-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine (CID 126895263) is 2-methyl-4-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-methyl-4-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-methyl-4-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine is Cc1nc(N2CCN(c3ccc4ncnc(OC(C)C)c4c3)CC2)c2ccncc2n1.
What is the InChIKey of 2-methyl-4-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine?
The InChIKey is LKPLITZIEKOOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O/c1-15(2)31-23-19-12-17(4-5-20(19)25-14-26-23)29-8-10-30(11-9-29)22-18-6-7-24-13-21(18)27-16(3)28-22/h4-7,12-15H,8-11H2,1-3H3.
What are the key properties of 2-methyl-4-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine?
2-methyl-4-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine has a molecular weight of 415.50 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 126895263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).