4-methyl-2-(4-piperidin-1-ylazepan-1-yl)quinazoline

C20H28N4 — CID 142905223

IUPAC4-methyl-2-(4-piperidin-1-ylazepan-1-yl)quinazoline
SMILESCc1nc(N2CCCC(N3CCCCC3)CC2)nc2ccccc12
InChIInChI=1S/C20H28N4/c1-16-18-9-3-4-10-19(18)22-20(21-16)24-14-7-8-17(11-15-24)23-12-5-2-6-13-23/h3-4,9-10,17H,2,5-8,11-15H2,1H3
InChIKeyXGUSHRQLAQEJPE-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.78
Rot. Bonds2

About 4-methyl-2-(4-piperidin-1-ylazepan-1-yl)quinazoline

4-methyl-2-(4-piperidin-1-ylazepan-1-yl)quinazoline (PubChem CID 142905223) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is 4-methyl-2-(4-piperidin-1-ylazepan-1-yl)quinazoline.

Molecular Properties

Compound Name4-methyl-2-(4-piperidin-1-ylazepan-1-yl)quinazoline
PubChem CID142905223
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC Name4-methyl-2-(4-piperidin-1-ylazepan-1-yl)quinazoline
SMILESCc1nc(N2CCCC(N3CCCCC3)CC2)nc2ccccc12
InChIInChI=1S/C20H28N4/c1-16-18-9-3-4-10-19(18)22-20(21-16)24-14-7-8-17(11-15-24)23-12-5-2-6-13-23/h3-4,9-10,17H,2,5-8,11-15H2,1H3
InChIKeyXGUSHRQLAQEJPE-UHFFFAOYSA-N
XLogP3.78
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-piperidin-1-ylazepan-1-yl)quinazoline?
The IUPAC name of 4-methyl-2-(4-piperidin-1-ylazepan-1-yl)quinazoline (CID 142905223) is 4-methyl-2-(4-piperidin-1-ylazepan-1-yl)quinazoline.
What is the SMILES notation for 4-methyl-2-(4-piperidin-1-ylazepan-1-yl)quinazoline?
The canonical SMILES for 4-methyl-2-(4-piperidin-1-ylazepan-1-yl)quinazoline is Cc1nc(N2CCCC(N3CCCCC3)CC2)nc2ccccc12.
What is the InChIKey of 4-methyl-2-(4-piperidin-1-ylazepan-1-yl)quinazoline?
The InChIKey is XGUSHRQLAQEJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4/c1-16-18-9-3-4-10-19(18)22-20(21-16)24-14-7-8-17(11-15-24)23-12-5-2-6-13-23/h3-4,9-10,17H,2,5-8,11-15H2,1H3.
What are the key properties of 4-methyl-2-(4-piperidin-1-ylazepan-1-yl)quinazoline?
4-methyl-2-(4-piperidin-1-ylazepan-1-yl)quinazoline has a molecular weight of 324.47 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-piperidin-1-ylazepan-1-yl)quinazoline is sourced from PubChem (CID 142905223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).