3-fluoro-5-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)-N-(1-methyltriazol-4-yl)benzamide

C19H19FN6O — CID 169416197

IUPAC3-fluoro-5-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)-N-(1-methyltriazol-4-yl)benzamide
SMILESCc1nc(-c2cc(F)cc(C(=O)Nc3cn(C)nn3)c2)nc2c1CCCC2
InChIInChI=1S/C19H19FN6O/c1-11-15-5-3-4-6-16(15)22-18(21-11)12-7-13(9-14(20)8-12)19(27)23-17-10-26(2)25-24-17/h7-10H,3-6H2,1-2H3,(H,23,27)
InChIKeyDBMQVNVNJIBTKQ-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.85
Rot. Bonds3

About 3-fluoro-5-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)-N-(1-methyltriazol-4-yl)benzamide

3-fluoro-5-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)-N-(1-methyltriazol-4-yl)benzamide (PubChem CID 169416197) has the molecular formula C19H19FN6O and a molecular weight of 366.40 g/mol. Its IUPAC name is 3-fluoro-5-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)-N-(1-methyltriazol-4-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-5-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)-N-(1-methyltriazol-4-yl)benzamide
PubChem CID169416197
Molecular FormulaC19H19FN6O
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC Name3-fluoro-5-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)-N-(1-methyltriazol-4-yl)benzamide
SMILESCc1nc(-c2cc(F)cc(C(=O)Nc3cn(C)nn3)c2)nc2c1CCCC2
InChIInChI=1S/C19H19FN6O/c1-11-15-5-3-4-6-16(15)22-18(21-11)12-7-13(9-14(20)8-12)19(27)23-17-10-26(2)25-24-17/h7-10H,3-6H2,1-2H3,(H,23,27)
InChIKeyDBMQVNVNJIBTKQ-UHFFFAOYSA-N
XLogP2.85
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)-N-(1-methyltriazol-4-yl)benzamide?
The IUPAC name of 3-fluoro-5-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)-N-(1-methyltriazol-4-yl)benzamide (CID 169416197) is 3-fluoro-5-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)-N-(1-methyltriazol-4-yl)benzamide.
What is the SMILES notation for 3-fluoro-5-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)-N-(1-methyltriazol-4-yl)benzamide?
The canonical SMILES for 3-fluoro-5-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)-N-(1-methyltriazol-4-yl)benzamide is Cc1nc(-c2cc(F)cc(C(=O)Nc3cn(C)nn3)c2)nc2c1CCCC2.
What is the InChIKey of 3-fluoro-5-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)-N-(1-methyltriazol-4-yl)benzamide?
The InChIKey is DBMQVNVNJIBTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O/c1-11-15-5-3-4-6-16(15)22-18(21-11)12-7-13(9-14(20)8-12)19(27)23-17-10-26(2)25-24-17/h7-10H,3-6H2,1-2H3,(H,23,27).
What are the key properties of 3-fluoro-5-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)-N-(1-methyltriazol-4-yl)benzamide?
3-fluoro-5-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)-N-(1-methyltriazol-4-yl)benzamide has a molecular weight of 366.40 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)-N-(1-methyltriazol-4-yl)benzamide is sourced from PubChem (CID 169416197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).