N-cyclopropyl-4-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperazine-2-carboxamide

C17H22F3N5O — CID 56918333

IUPACN-cyclopropyl-4-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperazine-2-carboxamide
SMILESO=C(NC1CC1)C1CN(c2nc3c(c(C(F)(F)F)n2)CCCC3)CCN1
InChIInChI=1S/C17H22F3N5O/c18-17(19,20)14-11-3-1-2-4-12(11)23-16(24-14)25-8-7-21-13(9-25)15(26)22-10-5-6-10/h10,13,21H,1-9H2,(H,22,26)
InChIKeyGJUYFGPWFFWHGY-UHFFFAOYSA-N
MW369.39 g/mol
LogP1.43
Rot. Bonds3

About N-cyclopropyl-4-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperazine-2-carboxamide

N-cyclopropyl-4-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperazine-2-carboxamide (PubChem CID 56918333) has the molecular formula C17H22F3N5O and a molecular weight of 369.39 g/mol. Its IUPAC name is N-cyclopropyl-4-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperazine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperazine-2-carboxamide
PubChem CID56918333
Molecular FormulaC17H22F3N5O
Molecular Weight369.39 g/mol
Exact Mass369.18
IUPAC NameN-cyclopropyl-4-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperazine-2-carboxamide
SMILESO=C(NC1CC1)C1CN(c2nc3c(c(C(F)(F)F)n2)CCCC3)CCN1
InChIInChI=1S/C17H22F3N5O/c18-17(19,20)14-11-3-1-2-4-12(11)23-16(24-14)25-8-7-21-13(9-25)15(26)22-10-5-6-10/h10,13,21H,1-9H2,(H,22,26)
InChIKeyGJUYFGPWFFWHGY-UHFFFAOYSA-N
XLogP1.43
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperazine-2-carboxamide?
The IUPAC name of N-cyclopropyl-4-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperazine-2-carboxamide (CID 56918333) is N-cyclopropyl-4-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperazine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperazine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-4-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperazine-2-carboxamide is O=C(NC1CC1)C1CN(c2nc3c(c(C(F)(F)F)n2)CCCC3)CCN1.
What is the InChIKey of N-cyclopropyl-4-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperazine-2-carboxamide?
The InChIKey is GJUYFGPWFFWHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N5O/c18-17(19,20)14-11-3-1-2-4-12(11)23-16(24-14)25-8-7-21-13(9-25)15(26)22-10-5-6-10/h10,13,21H,1-9H2,(H,22,26).
What are the key properties of N-cyclopropyl-4-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperazine-2-carboxamide?
N-cyclopropyl-4-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperazine-2-carboxamide has a molecular weight of 369.39 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperazine-2-carboxamide is sourced from PubChem (CID 56918333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).