7-chloro-3-propyl-2-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one

C19H18ClN5O — CID 60525828

IUPAC7-chloro-3-propyl-2-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one
SMILESCCCN1C(=O)c2ccc(Cl)cc2NC1c1cn[nH]c1-c1cccnc1
InChIInChI=1S/C19H18ClN5O/c1-2-8-25-18(23-16-9-13(20)5-6-14(16)19(25)26)15-11-22-24-17(15)12-4-3-7-21-10-12/h3-7,9-11,18,23H,2,8H2,1H3,(H,22,24)
InChIKeyPGYVCEDXPIYJJG-UHFFFAOYSA-N
MW367.84 g/mol
LogP4.10
Rot. Bonds4

About 7-chloro-3-propyl-2-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one

7-chloro-3-propyl-2-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one (PubChem CID 60525828) has the molecular formula C19H18ClN5O and a molecular weight of 367.84 g/mol. Its IUPAC name is 7-chloro-3-propyl-2-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name7-chloro-3-propyl-2-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one
PubChem CID60525828
Molecular FormulaC19H18ClN5O
Molecular Weight367.84 g/mol
Exact Mass367.12
IUPAC Name7-chloro-3-propyl-2-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one
SMILESCCCN1C(=O)c2ccc(Cl)cc2NC1c1cn[nH]c1-c1cccnc1
InChIInChI=1S/C19H18ClN5O/c1-2-8-25-18(23-16-9-13(20)5-6-14(16)19(25)26)15-11-22-24-17(15)12-4-3-7-21-10-12/h3-7,9-11,18,23H,2,8H2,1H3,(H,22,24)
InChIKeyPGYVCEDXPIYJJG-UHFFFAOYSA-N
XLogP4.10
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-propyl-2-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 7-chloro-3-propyl-2-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one (CID 60525828) is 7-chloro-3-propyl-2-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 7-chloro-3-propyl-2-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 7-chloro-3-propyl-2-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one is CCCN1C(=O)c2ccc(Cl)cc2NC1c1cn[nH]c1-c1cccnc1.
What is the InChIKey of 7-chloro-3-propyl-2-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one?
The InChIKey is PGYVCEDXPIYJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O/c1-2-8-25-18(23-16-9-13(20)5-6-14(16)19(25)26)15-11-22-24-17(15)12-4-3-7-21-10-12/h3-7,9-11,18,23H,2,8H2,1H3,(H,22,24).
What are the key properties of 7-chloro-3-propyl-2-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one?
7-chloro-3-propyl-2-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one has a molecular weight of 367.84 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-propyl-2-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 60525828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).