2-methyl-1-[3-methyl-4-(5-methylquinazolin-4-yl)piperazin-1-yl]propan-2-ol

C18H26N4O — CID 133486528

IUPAC2-methyl-1-[3-methyl-4-(5-methylquinazolin-4-yl)piperazin-1-yl]propan-2-ol
SMILESCc1cccc2ncnc(N3CCN(CC(C)(C)O)CC3C)c12
InChIInChI=1S/C18H26N4O/c1-13-6-5-7-15-16(13)17(20-12-19-15)22-9-8-21(10-14(22)2)11-18(3,4)23/h5-7,12,14,23H,8-11H2,1-4H3
InChIKeyYGFYQPSQJRCQRX-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.22
Rot. Bonds3

About 2-methyl-1-[3-methyl-4-(5-methylquinazolin-4-yl)piperazin-1-yl]propan-2-ol

2-methyl-1-[3-methyl-4-(5-methylquinazolin-4-yl)piperazin-1-yl]propan-2-ol (PubChem CID 133486528) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-methyl-1-[3-methyl-4-(5-methylquinazolin-4-yl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[3-methyl-4-(5-methylquinazolin-4-yl)piperazin-1-yl]propan-2-ol
PubChem CID133486528
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name2-methyl-1-[3-methyl-4-(5-methylquinazolin-4-yl)piperazin-1-yl]propan-2-ol
SMILESCc1cccc2ncnc(N3CCN(CC(C)(C)O)CC3C)c12
InChIInChI=1S/C18H26N4O/c1-13-6-5-7-15-16(13)17(20-12-19-15)22-9-8-21(10-14(22)2)11-18(3,4)23/h5-7,12,14,23H,8-11H2,1-4H3
InChIKeyYGFYQPSQJRCQRX-UHFFFAOYSA-N
XLogP2.22
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-methyl-4-(5-methylquinazolin-4-yl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[3-methyl-4-(5-methylquinazolin-4-yl)piperazin-1-yl]propan-2-ol (CID 133486528) is 2-methyl-1-[3-methyl-4-(5-methylquinazolin-4-yl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[3-methyl-4-(5-methylquinazolin-4-yl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[3-methyl-4-(5-methylquinazolin-4-yl)piperazin-1-yl]propan-2-ol is Cc1cccc2ncnc(N3CCN(CC(C)(C)O)CC3C)c12.
What is the InChIKey of 2-methyl-1-[3-methyl-4-(5-methylquinazolin-4-yl)piperazin-1-yl]propan-2-ol?
The InChIKey is YGFYQPSQJRCQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-13-6-5-7-15-16(13)17(20-12-19-15)22-9-8-21(10-14(22)2)11-18(3,4)23/h5-7,12,14,23H,8-11H2,1-4H3.
What are the key properties of 2-methyl-1-[3-methyl-4-(5-methylquinazolin-4-yl)piperazin-1-yl]propan-2-ol?
2-methyl-1-[3-methyl-4-(5-methylquinazolin-4-yl)piperazin-1-yl]propan-2-ol has a molecular weight of 314.43 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-methyl-4-(5-methylquinazolin-4-yl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 133486528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).