7-chloro-2-(2-phenyltriazol-4-yl)-3-propyl-1,2-dihydroquinazolin-4-one

C19H18ClN5O — CID 60525619

IUPAC7-chloro-2-(2-phenyltriazol-4-yl)-3-propyl-1,2-dihydroquinazolin-4-one
SMILESCCCN1C(=O)c2ccc(Cl)cc2NC1c1cnn(-c2ccccc2)n1
InChIInChI=1S/C19H18ClN5O/c1-2-10-24-18(22-16-11-13(20)8-9-15(16)19(24)26)17-12-21-25(23-17)14-6-4-3-5-7-14/h3-9,11-12,18,22H,2,10H2,1H3
InChIKeyFHHBODKHOYDXNT-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.90
Rot. Bonds4

About 7-chloro-2-(2-phenyltriazol-4-yl)-3-propyl-1,2-dihydroquinazolin-4-one

7-chloro-2-(2-phenyltriazol-4-yl)-3-propyl-1,2-dihydroquinazolin-4-one (PubChem CID 60525619) has the molecular formula C19H18ClN5O and a molecular weight of 367.84 g/mol. Its IUPAC name is 7-chloro-2-(2-phenyltriazol-4-yl)-3-propyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name7-chloro-2-(2-phenyltriazol-4-yl)-3-propyl-1,2-dihydroquinazolin-4-one
PubChem CID60525619
Molecular FormulaC19H18ClN5O
Molecular Weight367.84 g/mol
Exact Mass367.12
IUPAC Name7-chloro-2-(2-phenyltriazol-4-yl)-3-propyl-1,2-dihydroquinazolin-4-one
SMILESCCCN1C(=O)c2ccc(Cl)cc2NC1c1cnn(-c2ccccc2)n1
InChIInChI=1S/C19H18ClN5O/c1-2-10-24-18(22-16-11-13(20)8-9-15(16)19(24)26)17-12-21-25(23-17)14-6-4-3-5-7-14/h3-9,11-12,18,22H,2,10H2,1H3
InChIKeyFHHBODKHOYDXNT-UHFFFAOYSA-N
XLogP3.90
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(2-phenyltriazol-4-yl)-3-propyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 7-chloro-2-(2-phenyltriazol-4-yl)-3-propyl-1,2-dihydroquinazolin-4-one (CID 60525619) is 7-chloro-2-(2-phenyltriazol-4-yl)-3-propyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 7-chloro-2-(2-phenyltriazol-4-yl)-3-propyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 7-chloro-2-(2-phenyltriazol-4-yl)-3-propyl-1,2-dihydroquinazolin-4-one is CCCN1C(=O)c2ccc(Cl)cc2NC1c1cnn(-c2ccccc2)n1.
What is the InChIKey of 7-chloro-2-(2-phenyltriazol-4-yl)-3-propyl-1,2-dihydroquinazolin-4-one?
The InChIKey is FHHBODKHOYDXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O/c1-2-10-24-18(22-16-11-13(20)8-9-15(16)19(24)26)17-12-21-25(23-17)14-6-4-3-5-7-14/h3-9,11-12,18,22H,2,10H2,1H3.
What are the key properties of 7-chloro-2-(2-phenyltriazol-4-yl)-3-propyl-1,2-dihydroquinazolin-4-one?
7-chloro-2-(2-phenyltriazol-4-yl)-3-propyl-1,2-dihydroquinazolin-4-one has a molecular weight of 367.84 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(2-phenyltriazol-4-yl)-3-propyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 60525619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).