4-[5-(4-methylpiperidin-1-yl)pentoxy]-2-phenyl-5,6,7,8-tetrahydroquinazoline

C25H35N3O — CID 127032703

IUPAC4-[5-(4-methylpiperidin-1-yl)pentoxy]-2-phenyl-5,6,7,8-tetrahydroquinazoline
SMILESCC1CCN(CCCCCOc2nc(-c3ccccc3)nc3c2CCCC3)CC1
InChIInChI=1S/C25H35N3O/c1-20-14-17-28(18-15-20)16-8-3-9-19-29-25-22-12-6-7-13-23(22)26-24(27-25)21-10-4-2-5-11-21/h2,4-5,10-11,20H,3,6-9,12-19H2,1H3
InChIKeyBZSAMUIMTOCGKS-UHFFFAOYSA-N
MW393.58 g/mol
LogP5.30
Rot. Bonds8

About 4-[5-(4-methylpiperidin-1-yl)pentoxy]-2-phenyl-5,6,7,8-tetrahydroquinazoline

4-[5-(4-methylpiperidin-1-yl)pentoxy]-2-phenyl-5,6,7,8-tetrahydroquinazoline (PubChem CID 127032703) has the molecular formula C25H35N3O and a molecular weight of 393.58 g/mol. Its IUPAC name is 4-[5-(4-methylpiperidin-1-yl)pentoxy]-2-phenyl-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name4-[5-(4-methylpiperidin-1-yl)pentoxy]-2-phenyl-5,6,7,8-tetrahydroquinazoline
PubChem CID127032703
Molecular FormulaC25H35N3O
Molecular Weight393.58 g/mol
Exact Mass393.28
IUPAC Name4-[5-(4-methylpiperidin-1-yl)pentoxy]-2-phenyl-5,6,7,8-tetrahydroquinazoline
SMILESCC1CCN(CCCCCOc2nc(-c3ccccc3)nc3c2CCCC3)CC1
InChIInChI=1S/C25H35N3O/c1-20-14-17-28(18-15-20)16-8-3-9-19-29-25-22-12-6-7-13-23(22)26-24(27-25)21-10-4-2-5-11-21/h2,4-5,10-11,20H,3,6-9,12-19H2,1H3
InChIKeyBZSAMUIMTOCGKS-UHFFFAOYSA-N
XLogP5.30
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.58
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[5-(4-methylpiperidin-1-yl)pentoxy]-2-phenyl-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 4-[5-(4-methylpiperidin-1-yl)pentoxy]-2-phenyl-5,6,7,8-tetrahydroquinazoline (CID 127032703) is 4-[5-(4-methylpiperidin-1-yl)pentoxy]-2-phenyl-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 4-[5-(4-methylpiperidin-1-yl)pentoxy]-2-phenyl-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 4-[5-(4-methylpiperidin-1-yl)pentoxy]-2-phenyl-5,6,7,8-tetrahydroquinazoline is CC1CCN(CCCCCOc2nc(-c3ccccc3)nc3c2CCCC3)CC1.
What is the InChIKey of 4-[5-(4-methylpiperidin-1-yl)pentoxy]-2-phenyl-5,6,7,8-tetrahydroquinazoline?
The InChIKey is BZSAMUIMTOCGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O/c1-20-14-17-28(18-15-20)16-8-3-9-19-29-25-22-12-6-7-13-23(22)26-24(27-25)21-10-4-2-5-11-21/h2,4-5,10-11,20H,3,6-9,12-19H2,1H3.
What are the key properties of 4-[5-(4-methylpiperidin-1-yl)pentoxy]-2-phenyl-5,6,7,8-tetrahydroquinazoline?
4-[5-(4-methylpiperidin-1-yl)pentoxy]-2-phenyl-5,6,7,8-tetrahydroquinazoline has a molecular weight of 393.58 g/mol, XLogP of 5.30, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methylpiperidin-1-yl)pentoxy]-2-phenyl-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 127032703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).