4-oxo-N-(4-pyrazol-1-ylcyclohexyl)-3H-quinazoline-2-carboxamide

C18H19N5O2 — CID 175644530

IUPAC4-oxo-N-(4-pyrazol-1-ylcyclohexyl)-3H-quinazoline-2-carboxamide
SMILESO=C(NC1CCC(n2cccn2)CC1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H19N5O2/c24-17-14-4-1-2-5-15(14)21-16(22-17)18(25)20-12-6-8-13(9-7-12)23-11-3-10-19-23/h1-5,10-13H,6-9H2,(H,20,25)(H,21,22,24)
InChIKeyQDKQVQAZZVHJKJ-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.03
Rot. Bonds3

About 4-oxo-N-(4-pyrazol-1-ylcyclohexyl)-3H-quinazoline-2-carboxamide

4-oxo-N-(4-pyrazol-1-ylcyclohexyl)-3H-quinazoline-2-carboxamide (PubChem CID 175644530) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-oxo-N-(4-pyrazol-1-ylcyclohexyl)-3H-quinazoline-2-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(4-pyrazol-1-ylcyclohexyl)-3H-quinazoline-2-carboxamide
PubChem CID175644530
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name4-oxo-N-(4-pyrazol-1-ylcyclohexyl)-3H-quinazoline-2-carboxamide
SMILESO=C(NC1CCC(n2cccn2)CC1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H19N5O2/c24-17-14-4-1-2-5-15(14)21-16(22-17)18(25)20-12-6-8-13(9-7-12)23-11-3-10-19-23/h1-5,10-13H,6-9H2,(H,20,25)(H,21,22,24)
InChIKeyQDKQVQAZZVHJKJ-UHFFFAOYSA-N
XLogP2.03
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(4-pyrazol-1-ylcyclohexyl)-3H-quinazoline-2-carboxamide?
The IUPAC name of 4-oxo-N-(4-pyrazol-1-ylcyclohexyl)-3H-quinazoline-2-carboxamide (CID 175644530) is 4-oxo-N-(4-pyrazol-1-ylcyclohexyl)-3H-quinazoline-2-carboxamide.
What is the SMILES notation for 4-oxo-N-(4-pyrazol-1-ylcyclohexyl)-3H-quinazoline-2-carboxamide?
The canonical SMILES for 4-oxo-N-(4-pyrazol-1-ylcyclohexyl)-3H-quinazoline-2-carboxamide is O=C(NC1CCC(n2cccn2)CC1)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 4-oxo-N-(4-pyrazol-1-ylcyclohexyl)-3H-quinazoline-2-carboxamide?
The InChIKey is QDKQVQAZZVHJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c24-17-14-4-1-2-5-15(14)21-16(22-17)18(25)20-12-6-8-13(9-7-12)23-11-3-10-19-23/h1-5,10-13H,6-9H2,(H,20,25)(H,21,22,24).
What are the key properties of 4-oxo-N-(4-pyrazol-1-ylcyclohexyl)-3H-quinazoline-2-carboxamide?
4-oxo-N-(4-pyrazol-1-ylcyclohexyl)-3H-quinazoline-2-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(4-pyrazol-1-ylcyclohexyl)-3H-quinazoline-2-carboxamide is sourced from PubChem (CID 175644530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).