7-fluoro-5-oxo-N-(2-phenylethyl)-2,3,3a,4,5a,6,7,8,9,9a-decahydro-1H-triazolo[1,5-a]quinazoline-3-carboxamide

C18H24FN5O2 — CID 74586159

IUPAC7-fluoro-5-oxo-N-(2-phenylethyl)-2,3,3a,4,5a,6,7,8,9,9a-decahydro-1H-triazolo[1,5-a]quinazoline-3-carboxamide
SMILESO=C1NC2C(C(=O)NCCc3ccccc3)NNN2C2CCC(F)CC12
InChIInChI=1S/C18H24FN5O2/c19-12-6-7-14-13(10-12)17(25)21-16-15(22-23-24(14)16)18(26)20-9-8-11-4-2-1-3-5-11/h1-5,12-16,22-23H,6-10H2,(H,20,26)(H,21,25)
InChIKeyMQANDBUAMGSQRP-UHFFFAOYSA-N
MW361.42 g/mol
LogP0.00
Rot. Bonds4

About 7-fluoro-5-oxo-N-(2-phenylethyl)-2,3,3a,4,5a,6,7,8,9,9a-decahydro-1H-triazolo[1,5-a]quinazoline-3-carboxamide

7-fluoro-5-oxo-N-(2-phenylethyl)-2,3,3a,4,5a,6,7,8,9,9a-decahydro-1H-triazolo[1,5-a]quinazoline-3-carboxamide (PubChem CID 74586159) has the molecular formula C18H24FN5O2 and a molecular weight of 361.42 g/mol. Its IUPAC name is 7-fluoro-5-oxo-N-(2-phenylethyl)-2,3,3a,4,5a,6,7,8,9,9a-decahydro-1H-triazolo[1,5-a]quinazoline-3-carboxamide.

Molecular Properties

Compound Name7-fluoro-5-oxo-N-(2-phenylethyl)-2,3,3a,4,5a,6,7,8,9,9a-decahydro-1H-triazolo[1,5-a]quinazoline-3-carboxamide
PubChem CID74586159
Molecular FormulaC18H24FN5O2
Molecular Weight361.42 g/mol
Exact Mass361.19
IUPAC Name7-fluoro-5-oxo-N-(2-phenylethyl)-2,3,3a,4,5a,6,7,8,9,9a-decahydro-1H-triazolo[1,5-a]quinazoline-3-carboxamide
SMILESO=C1NC2C(C(=O)NCCc3ccccc3)NNN2C2CCC(F)CC12
InChIInChI=1S/C18H24FN5O2/c19-12-6-7-14-13(10-12)17(25)21-16-15(22-23-24(14)16)18(26)20-9-8-11-4-2-1-3-5-11/h1-5,12-16,22-23H,6-10H2,(H,20,26)(H,21,25)
InChIKeyMQANDBUAMGSQRP-UHFFFAOYSA-N
XLogP0.00
TPSA85.50 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 50.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-oxo-N-(2-phenylethyl)-2,3,3a,4,5a,6,7,8,9,9a-decahydro-1H-triazolo[1,5-a]quinazoline-3-carboxamide?
The IUPAC name of 7-fluoro-5-oxo-N-(2-phenylethyl)-2,3,3a,4,5a,6,7,8,9,9a-decahydro-1H-triazolo[1,5-a]quinazoline-3-carboxamide (CID 74586159) is 7-fluoro-5-oxo-N-(2-phenylethyl)-2,3,3a,4,5a,6,7,8,9,9a-decahydro-1H-triazolo[1,5-a]quinazoline-3-carboxamide.
What is the SMILES notation for 7-fluoro-5-oxo-N-(2-phenylethyl)-2,3,3a,4,5a,6,7,8,9,9a-decahydro-1H-triazolo[1,5-a]quinazoline-3-carboxamide?
The canonical SMILES for 7-fluoro-5-oxo-N-(2-phenylethyl)-2,3,3a,4,5a,6,7,8,9,9a-decahydro-1H-triazolo[1,5-a]quinazoline-3-carboxamide is O=C1NC2C(C(=O)NCCc3ccccc3)NNN2C2CCC(F)CC12.
What is the InChIKey of 7-fluoro-5-oxo-N-(2-phenylethyl)-2,3,3a,4,5a,6,7,8,9,9a-decahydro-1H-triazolo[1,5-a]quinazoline-3-carboxamide?
The InChIKey is MQANDBUAMGSQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O2/c19-12-6-7-14-13(10-12)17(25)21-16-15(22-23-24(14)16)18(26)20-9-8-11-4-2-1-3-5-11/h1-5,12-16,22-23H,6-10H2,(H,20,26)(H,21,25).
What are the key properties of 7-fluoro-5-oxo-N-(2-phenylethyl)-2,3,3a,4,5a,6,7,8,9,9a-decahydro-1H-triazolo[1,5-a]quinazoline-3-carboxamide?
7-fluoro-5-oxo-N-(2-phenylethyl)-2,3,3a,4,5a,6,7,8,9,9a-decahydro-1H-triazolo[1,5-a]quinazoline-3-carboxamide has a molecular weight of 361.42 g/mol, XLogP of 0.00, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-oxo-N-(2-phenylethyl)-2,3,3a,4,5a,6,7,8,9,9a-decahydro-1H-triazolo[1,5-a]quinazoline-3-carboxamide is sourced from PubChem (CID 74586159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).