4-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenyl-5,6,7,8-tetrahydroquinazoline

C22H30N4O — CID 127032696

IUPAC4-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenyl-5,6,7,8-tetrahydroquinazoline
SMILESCN1CCN(CCCOc2nc(-c3ccccc3)nc3c2CCCC3)CC1
InChIInChI=1S/C22H30N4O/c1-25-13-15-26(16-14-25)12-7-17-27-22-19-10-5-6-11-20(19)23-21(24-22)18-8-3-2-4-9-18/h2-4,8-9H,5-7,10-17H2,1H3
InChIKeySXGWUBXJWAUYRH-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.04
Rot. Bonds6

About 4-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenyl-5,6,7,8-tetrahydroquinazoline

4-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenyl-5,6,7,8-tetrahydroquinazoline (PubChem CID 127032696) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 4-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenyl-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name4-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenyl-5,6,7,8-tetrahydroquinazoline
PubChem CID127032696
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name4-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenyl-5,6,7,8-tetrahydroquinazoline
SMILESCN1CCN(CCCOc2nc(-c3ccccc3)nc3c2CCCC3)CC1
InChIInChI=1S/C22H30N4O/c1-25-13-15-26(16-14-25)12-7-17-27-22-19-10-5-6-11-20(19)23-21(24-22)18-8-3-2-4-9-18/h2-4,8-9H,5-7,10-17H2,1H3
InChIKeySXGWUBXJWAUYRH-UHFFFAOYSA-N
XLogP3.04
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenyl-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 4-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenyl-5,6,7,8-tetrahydroquinazoline (CID 127032696) is 4-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenyl-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 4-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenyl-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 4-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenyl-5,6,7,8-tetrahydroquinazoline is CN1CCN(CCCOc2nc(-c3ccccc3)nc3c2CCCC3)CC1.
What is the InChIKey of 4-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenyl-5,6,7,8-tetrahydroquinazoline?
The InChIKey is SXGWUBXJWAUYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-25-13-15-26(16-14-25)12-7-17-27-22-19-10-5-6-11-20(19)23-21(24-22)18-8-3-2-4-9-18/h2-4,8-9H,5-7,10-17H2,1H3.
What are the key properties of 4-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenyl-5,6,7,8-tetrahydroquinazoline?
4-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenyl-5,6,7,8-tetrahydroquinazoline has a molecular weight of 366.51 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenyl-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 127032696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).