N-[3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]acetamide

C26H30N4O4 — CID 122445143

IUPACN-[3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]acetamide
SMILESCC(=O)Nc1ccc2c(=O)n(CC3(O)CCN(C(=O)CC(C)c4ccccc4)CC3)cnc2c1
InChIInChI=1S/C26H30N4O4/c1-18(20-6-4-3-5-7-20)14-24(32)29-12-10-26(34,11-13-29)16-30-17-27-23-15-21(28-19(2)31)8-9-22(23)25(30)33/h3-9,15,17-18,34H,10-14,16H2,1-2H3,(H,28,31)
InChIKeyICJLQZBRRUPVTE-UHFFFAOYSA-N
MW462.55 g/mol
LogP2.90
Rot. Bonds6

About N-[3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]acetamide

N-[3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]acetamide (PubChem CID 122445143) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-[3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]acetamide
PubChem CID122445143
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC NameN-[3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]acetamide
SMILESCC(=O)Nc1ccc2c(=O)n(CC3(O)CCN(C(=O)CC(C)c4ccccc4)CC3)cnc2c1
InChIInChI=1S/C26H30N4O4/c1-18(20-6-4-3-5-7-20)14-24(32)29-12-10-26(34,11-13-29)16-30-17-27-23-15-21(28-19(2)31)8-9-22(23)25(30)33/h3-9,15,17-18,34H,10-14,16H2,1-2H3,(H,28,31)
InChIKeyICJLQZBRRUPVTE-UHFFFAOYSA-N
XLogP2.90
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]acetamide?
The IUPAC name of N-[3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]acetamide (CID 122445143) is N-[3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]acetamide.
What is the SMILES notation for N-[3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]acetamide?
The canonical SMILES for N-[3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]acetamide is CC(=O)Nc1ccc2c(=O)n(CC3(O)CCN(C(=O)CC(C)c4ccccc4)CC3)cnc2c1.
What is the InChIKey of N-[3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]acetamide?
The InChIKey is ICJLQZBRRUPVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-18(20-6-4-3-5-7-20)14-24(32)29-12-10-26(34,11-13-29)16-30-17-27-23-15-21(28-19(2)31)8-9-22(23)25(30)33/h3-9,15,17-18,34H,10-14,16H2,1-2H3,(H,28,31).
What are the key properties of N-[3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]acetamide?
N-[3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]acetamide has a molecular weight of 462.55 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]acetamide is sourced from PubChem (CID 122445143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).