[4-(2-aminoquinazolin-4-yl)piperidin-1-yl]-phenylmethanone

C20H20N4O — CID 15428773

IUPAC[4-(2-aminoquinazolin-4-yl)piperidin-1-yl]-phenylmethanone
SMILESNc1nc(C2CCN(C(=O)c3ccccc3)CC2)c2ccccc2n1
InChIInChI=1S/C20H20N4O/c21-20-22-17-9-5-4-8-16(17)18(23-20)14-10-12-24(13-11-14)19(25)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H2,21,22,23)
InChIKeyAULZSGNFPBJYIW-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.23
Rot. Bonds2

About [4-(2-aminoquinazolin-4-yl)piperidin-1-yl]-phenylmethanone

[4-(2-aminoquinazolin-4-yl)piperidin-1-yl]-phenylmethanone (PubChem CID 15428773) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is [4-(2-aminoquinazolin-4-yl)piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(2-aminoquinazolin-4-yl)piperidin-1-yl]-phenylmethanone
PubChem CID15428773
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name[4-(2-aminoquinazolin-4-yl)piperidin-1-yl]-phenylmethanone
SMILESNc1nc(C2CCN(C(=O)c3ccccc3)CC2)c2ccccc2n1
InChIInChI=1S/C20H20N4O/c21-20-22-17-9-5-4-8-16(17)18(23-20)14-10-12-24(13-11-14)19(25)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H2,21,22,23)
InChIKeyAULZSGNFPBJYIW-UHFFFAOYSA-N
XLogP3.23
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoquinazolin-4-yl)piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-(2-aminoquinazolin-4-yl)piperidin-1-yl]-phenylmethanone (CID 15428773) is [4-(2-aminoquinazolin-4-yl)piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(2-aminoquinazolin-4-yl)piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(2-aminoquinazolin-4-yl)piperidin-1-yl]-phenylmethanone is Nc1nc(C2CCN(C(=O)c3ccccc3)CC2)c2ccccc2n1.
What is the InChIKey of [4-(2-aminoquinazolin-4-yl)piperidin-1-yl]-phenylmethanone?
The InChIKey is AULZSGNFPBJYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c21-20-22-17-9-5-4-8-16(17)18(23-20)14-10-12-24(13-11-14)19(25)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H2,21,22,23).
What are the key properties of [4-(2-aminoquinazolin-4-yl)piperidin-1-yl]-phenylmethanone?
[4-(2-aminoquinazolin-4-yl)piperidin-1-yl]-phenylmethanone has a molecular weight of 332.41 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminoquinazolin-4-yl)piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 15428773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).