N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]benzamide

C18H18F3N3O — CID 71797102

IUPACN-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]benzamide
SMILESO=C(NCCc1nc2c(c(C(F)(F)F)n1)CCCC2)c1ccccc1
InChIInChI=1S/C18H18F3N3O/c19-18(20,21)16-13-8-4-5-9-14(13)23-15(24-16)10-11-22-17(25)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,22,25)
InChIKeyQKKGWWVTQIAXKG-UHFFFAOYSA-N
MW349.36 g/mol
LogP3.35
Rot. Bonds4

About N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]benzamide

N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]benzamide (PubChem CID 71797102) has the molecular formula C18H18F3N3O and a molecular weight of 349.36 g/mol. Its IUPAC name is N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]benzamide
PubChem CID71797102
Molecular FormulaC18H18F3N3O
Molecular Weight349.36 g/mol
Exact Mass349.14
IUPAC NameN-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]benzamide
SMILESO=C(NCCc1nc2c(c(C(F)(F)F)n1)CCCC2)c1ccccc1
InChIInChI=1S/C18H18F3N3O/c19-18(20,21)16-13-8-4-5-9-14(13)23-15(24-16)10-11-22-17(25)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,22,25)
InChIKeyQKKGWWVTQIAXKG-UHFFFAOYSA-N
XLogP3.35
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]benzamide?
The IUPAC name of N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]benzamide (CID 71797102) is N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]benzamide?
The canonical SMILES for N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]benzamide is O=C(NCCc1nc2c(c(C(F)(F)F)n1)CCCC2)c1ccccc1.
What is the InChIKey of N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]benzamide?
The InChIKey is QKKGWWVTQIAXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O/c19-18(20,21)16-13-8-4-5-9-14(13)23-15(24-16)10-11-22-17(25)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,22,25).
What are the key properties of N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]benzamide?
N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]benzamide has a molecular weight of 349.36 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]benzamide is sourced from PubChem (CID 71797102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).