4-[(4-oxo-3H-quinazolin-7-yl)carbamoyl]-4-phenylpiperidine-1-carboxylic acid

C21H20N4O4 — CID 136648433

IUPAC4-[(4-oxo-3H-quinazolin-7-yl)carbamoyl]-4-phenylpiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(C(=O)Nc2ccc3c(=O)[nH]cnc3c2)(c2ccccc2)CC1
InChIInChI=1S/C21H20N4O4/c26-18-16-7-6-15(12-17(16)22-13-23-18)24-19(27)21(14-4-2-1-3-5-14)8-10-25(11-9-21)20(28)29/h1-7,12-13H,8-11H2,(H,24,27)(H,28,29)(H,22,23,26)
InChIKeyZUNKASNXHKELMU-UHFFFAOYSA-N
MW392.42 g/mol
LogP2.57
Rot. Bonds3

About 4-[(4-oxo-3H-quinazolin-7-yl)carbamoyl]-4-phenylpiperidine-1-carboxylic acid

4-[(4-oxo-3H-quinazolin-7-yl)carbamoyl]-4-phenylpiperidine-1-carboxylic acid (PubChem CID 136648433) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is 4-[(4-oxo-3H-quinazolin-7-yl)carbamoyl]-4-phenylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-oxo-3H-quinazolin-7-yl)carbamoyl]-4-phenylpiperidine-1-carboxylic acid
PubChem CID136648433
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Name4-[(4-oxo-3H-quinazolin-7-yl)carbamoyl]-4-phenylpiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(C(=O)Nc2ccc3c(=O)[nH]cnc3c2)(c2ccccc2)CC1
InChIInChI=1S/C21H20N4O4/c26-18-16-7-6-15(12-17(16)22-13-23-18)24-19(27)21(14-4-2-1-3-5-14)8-10-25(11-9-21)20(28)29/h1-7,12-13H,8-11H2,(H,24,27)(H,28,29)(H,22,23,26)
InChIKeyZUNKASNXHKELMU-UHFFFAOYSA-N
XLogP2.57
TPSA115.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-oxo-3H-quinazolin-7-yl)carbamoyl]-4-phenylpiperidine-1-carboxylic acid?
The IUPAC name of 4-[(4-oxo-3H-quinazolin-7-yl)carbamoyl]-4-phenylpiperidine-1-carboxylic acid (CID 136648433) is 4-[(4-oxo-3H-quinazolin-7-yl)carbamoyl]-4-phenylpiperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(4-oxo-3H-quinazolin-7-yl)carbamoyl]-4-phenylpiperidine-1-carboxylic acid?
The canonical SMILES for 4-[(4-oxo-3H-quinazolin-7-yl)carbamoyl]-4-phenylpiperidine-1-carboxylic acid is O=C(O)N1CCC(C(=O)Nc2ccc3c(=O)[nH]cnc3c2)(c2ccccc2)CC1.
What is the InChIKey of 4-[(4-oxo-3H-quinazolin-7-yl)carbamoyl]-4-phenylpiperidine-1-carboxylic acid?
The InChIKey is ZUNKASNXHKELMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c26-18-16-7-6-15(12-17(16)22-13-23-18)24-19(27)21(14-4-2-1-3-5-14)8-10-25(11-9-21)20(28)29/h1-7,12-13H,8-11H2,(H,24,27)(H,28,29)(H,22,23,26).
What are the key properties of 4-[(4-oxo-3H-quinazolin-7-yl)carbamoyl]-4-phenylpiperidine-1-carboxylic acid?
4-[(4-oxo-3H-quinazolin-7-yl)carbamoyl]-4-phenylpiperidine-1-carboxylic acid has a molecular weight of 392.42 g/mol, XLogP of 2.57, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-oxo-3H-quinazolin-7-yl)carbamoyl]-4-phenylpiperidine-1-carboxylic acid is sourced from PubChem (CID 136648433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).