4-(4-methylpiperidin-1-yl)-2-phenylquinazoline

C20H21N3 — CID 719693

IUPAC4-(4-methylpiperidin-1-yl)-2-phenylquinazoline
SMILESCC1CCN(c2nc(-c3ccccc3)nc3ccccc23)CC1
InChIInChI=1S/C20H21N3/c1-15-11-13-23(14-12-15)20-17-9-5-6-10-18(17)21-19(22-20)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3
InChIKeyJQXJPNSRTIEFOL-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.53
Rot. Bonds2

About 4-(4-methylpiperidin-1-yl)-2-phenylquinazoline

4-(4-methylpiperidin-1-yl)-2-phenylquinazoline (PubChem CID 719693) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)-2-phenylquinazoline.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)-2-phenylquinazoline
PubChem CID719693
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC Name4-(4-methylpiperidin-1-yl)-2-phenylquinazoline
SMILESCC1CCN(c2nc(-c3ccccc3)nc3ccccc23)CC1
InChIInChI=1S/C20H21N3/c1-15-11-13-23(14-12-15)20-17-9-5-6-10-18(17)21-19(22-20)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3
InChIKeyJQXJPNSRTIEFOL-UHFFFAOYSA-N
XLogP4.53
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)-2-phenylquinazoline?
The IUPAC name of 4-(4-methylpiperidin-1-yl)-2-phenylquinazoline (CID 719693) is 4-(4-methylpiperidin-1-yl)-2-phenylquinazoline.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)-2-phenylquinazoline?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)-2-phenylquinazoline is CC1CCN(c2nc(-c3ccccc3)nc3ccccc23)CC1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)-2-phenylquinazoline?
The InChIKey is JQXJPNSRTIEFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3/c1-15-11-13-23(14-12-15)20-17-9-5-6-10-18(17)21-19(22-20)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3.
What are the key properties of 4-(4-methylpiperidin-1-yl)-2-phenylquinazoline?
4-(4-methylpiperidin-1-yl)-2-phenylquinazoline has a molecular weight of 303.41 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)-2-phenylquinazoline is sourced from PubChem (CID 719693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).