5-chloro-2-ethyl-3-(1H-pyrazol-5-ylmethyl)quinazolin-4-one

C14H13ClN4O — CID 144977712

IUPAC5-chloro-2-ethyl-3-(1H-pyrazol-5-ylmethyl)quinazolin-4-one
SMILESCCc1nc2cccc(Cl)c2c(=O)n1Cc1ccn[nH]1
InChIInChI=1S/C14H13ClN4O/c1-2-12-17-11-5-3-4-10(15)13(11)14(20)19(12)8-9-6-7-16-18-9/h3-7H,2,8H2,1H3,(H,16,18)
InChIKeyDFBWSEYEDALJDQ-UHFFFAOYSA-N
MW288.74 g/mol
LogP2.38
Rot. Bonds3

About 5-chloro-2-ethyl-3-(1H-pyrazol-5-ylmethyl)quinazolin-4-one

5-chloro-2-ethyl-3-(1H-pyrazol-5-ylmethyl)quinazolin-4-one (PubChem CID 144977712) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is 5-chloro-2-ethyl-3-(1H-pyrazol-5-ylmethyl)quinazolin-4-one.

Molecular Properties

Compound Name5-chloro-2-ethyl-3-(1H-pyrazol-5-ylmethyl)quinazolin-4-one
PubChem CID144977712
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC Name5-chloro-2-ethyl-3-(1H-pyrazol-5-ylmethyl)quinazolin-4-one
SMILESCCc1nc2cccc(Cl)c2c(=O)n1Cc1ccn[nH]1
InChIInChI=1S/C14H13ClN4O/c1-2-12-17-11-5-3-4-10(15)13(11)14(20)19(12)8-9-6-7-16-18-9/h3-7H,2,8H2,1H3,(H,16,18)
InChIKeyDFBWSEYEDALJDQ-UHFFFAOYSA-N
XLogP2.38
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethyl-3-(1H-pyrazol-5-ylmethyl)quinazolin-4-one?
The IUPAC name of 5-chloro-2-ethyl-3-(1H-pyrazol-5-ylmethyl)quinazolin-4-one (CID 144977712) is 5-chloro-2-ethyl-3-(1H-pyrazol-5-ylmethyl)quinazolin-4-one.
What is the SMILES notation for 5-chloro-2-ethyl-3-(1H-pyrazol-5-ylmethyl)quinazolin-4-one?
The canonical SMILES for 5-chloro-2-ethyl-3-(1H-pyrazol-5-ylmethyl)quinazolin-4-one is CCc1nc2cccc(Cl)c2c(=O)n1Cc1ccn[nH]1.
What is the InChIKey of 5-chloro-2-ethyl-3-(1H-pyrazol-5-ylmethyl)quinazolin-4-one?
The InChIKey is DFBWSEYEDALJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O/c1-2-12-17-11-5-3-4-10(15)13(11)14(20)19(12)8-9-6-7-16-18-9/h3-7H,2,8H2,1H3,(H,16,18).
What are the key properties of 5-chloro-2-ethyl-3-(1H-pyrazol-5-ylmethyl)quinazolin-4-one?
5-chloro-2-ethyl-3-(1H-pyrazol-5-ylmethyl)quinazolin-4-one has a molecular weight of 288.74 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethyl-3-(1H-pyrazol-5-ylmethyl)quinazolin-4-one is sourced from PubChem (CID 144977712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).