2-methyl-4-[4-[2-(1-phenyltriazol-4-yl)propan-2-yl]piperazin-1-yl]quinazoline

C24H27N7 — CID 160989115

IUPAC2-methyl-4-[4-[2-(1-phenyltriazol-4-yl)propan-2-yl]piperazin-1-yl]quinazoline
SMILESCc1nc(N2CCN(C(C)(C)c3cn(-c4ccccc4)nn3)CC2)c2ccccc2n1
InChIInChI=1S/C24H27N7/c1-18-25-21-12-8-7-11-20(21)23(26-18)29-13-15-30(16-14-29)24(2,3)22-17-31(28-27-22)19-9-5-4-6-10-19/h4-12,17H,13-16H2,1-3H3
InChIKeyIGAGHOQRLJQLBG-UHFFFAOYSA-N
MW413.53 g/mol
LogP3.58
Rot. Bonds4

About 2-methyl-4-[4-[2-(1-phenyltriazol-4-yl)propan-2-yl]piperazin-1-yl]quinazoline

2-methyl-4-[4-[2-(1-phenyltriazol-4-yl)propan-2-yl]piperazin-1-yl]quinazoline (PubChem CID 160989115) has the molecular formula C24H27N7 and a molecular weight of 413.53 g/mol. Its IUPAC name is 2-methyl-4-[4-[2-(1-phenyltriazol-4-yl)propan-2-yl]piperazin-1-yl]quinazoline.

Molecular Properties

Compound Name2-methyl-4-[4-[2-(1-phenyltriazol-4-yl)propan-2-yl]piperazin-1-yl]quinazoline
PubChem CID160989115
Molecular FormulaC24H27N7
Molecular Weight413.53 g/mol
Exact Mass413.23
IUPAC Name2-methyl-4-[4-[2-(1-phenyltriazol-4-yl)propan-2-yl]piperazin-1-yl]quinazoline
SMILESCc1nc(N2CCN(C(C)(C)c3cn(-c4ccccc4)nn3)CC2)c2ccccc2n1
InChIInChI=1S/C24H27N7/c1-18-25-21-12-8-7-11-20(21)23(26-18)29-13-15-30(16-14-29)24(2,3)22-17-31(28-27-22)19-9-5-4-6-10-19/h4-12,17H,13-16H2,1-3H3
InChIKeyIGAGHOQRLJQLBG-UHFFFAOYSA-N
XLogP3.58
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-[2-(1-phenyltriazol-4-yl)propan-2-yl]piperazin-1-yl]quinazoline?
The IUPAC name of 2-methyl-4-[4-[2-(1-phenyltriazol-4-yl)propan-2-yl]piperazin-1-yl]quinazoline (CID 160989115) is 2-methyl-4-[4-[2-(1-phenyltriazol-4-yl)propan-2-yl]piperazin-1-yl]quinazoline.
What is the SMILES notation for 2-methyl-4-[4-[2-(1-phenyltriazol-4-yl)propan-2-yl]piperazin-1-yl]quinazoline?
The canonical SMILES for 2-methyl-4-[4-[2-(1-phenyltriazol-4-yl)propan-2-yl]piperazin-1-yl]quinazoline is Cc1nc(N2CCN(C(C)(C)c3cn(-c4ccccc4)nn3)CC2)c2ccccc2n1.
What is the InChIKey of 2-methyl-4-[4-[2-(1-phenyltriazol-4-yl)propan-2-yl]piperazin-1-yl]quinazoline?
The InChIKey is IGAGHOQRLJQLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7/c1-18-25-21-12-8-7-11-20(21)23(26-18)29-13-15-30(16-14-29)24(2,3)22-17-31(28-27-22)19-9-5-4-6-10-19/h4-12,17H,13-16H2,1-3H3.
What are the key properties of 2-methyl-4-[4-[2-(1-phenyltriazol-4-yl)propan-2-yl]piperazin-1-yl]quinazoline?
2-methyl-4-[4-[2-(1-phenyltriazol-4-yl)propan-2-yl]piperazin-1-yl]quinazoline has a molecular weight of 413.53 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-[2-(1-phenyltriazol-4-yl)propan-2-yl]piperazin-1-yl]quinazoline is sourced from PubChem (CID 160989115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).