N-(4-chlorophenyl)-2-(9-oxo-5,6,7,8-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-2-yl)acetamide

C17H16ClN5O2 — CID 18531489

IUPACN-(4-chlorophenyl)-2-(9-oxo-5,6,7,8-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-2-yl)acetamide
SMILESO=C(Cc1nc2nc3c(c(=O)n2[nH]1)CCCC3)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN5O2/c18-10-5-7-11(8-6-10)19-15(24)9-14-21-17-20-13-4-2-1-3-12(13)16(25)23(17)22-14/h5-8H,1-4,9H2,(H,19,24)(H,20,21,22)
InChIKeyBNDPQEWADHFKOU-UHFFFAOYSA-N
MW357.80 g/mol
LogP2.13
Rot. Bonds3

About N-(4-chlorophenyl)-2-(9-oxo-5,6,7,8-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-2-yl)acetamide

N-(4-chlorophenyl)-2-(9-oxo-5,6,7,8-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-2-yl)acetamide (PubChem CID 18531489) has the molecular formula C17H16ClN5O2 and a molecular weight of 357.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(9-oxo-5,6,7,8-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(9-oxo-5,6,7,8-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-2-yl)acetamide
PubChem CID18531489
Molecular FormulaC17H16ClN5O2
Molecular Weight357.80 g/mol
Exact Mass357.10
IUPAC NameN-(4-chlorophenyl)-2-(9-oxo-5,6,7,8-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-2-yl)acetamide
SMILESO=C(Cc1nc2nc3c(c(=O)n2[nH]1)CCCC3)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN5O2/c18-10-5-7-11(8-6-10)19-15(24)9-14-21-17-20-13-4-2-1-3-12(13)16(25)23(17)22-14/h5-8H,1-4,9H2,(H,19,24)(H,20,21,22)
InChIKeyBNDPQEWADHFKOU-UHFFFAOYSA-N
XLogP2.13
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(9-oxo-5,6,7,8-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-2-yl)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(9-oxo-5,6,7,8-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-2-yl)acetamide (CID 18531489) is N-(4-chlorophenyl)-2-(9-oxo-5,6,7,8-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-2-yl)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(9-oxo-5,6,7,8-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-2-yl)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(9-oxo-5,6,7,8-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-2-yl)acetamide is O=C(Cc1nc2nc3c(c(=O)n2[nH]1)CCCC3)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(9-oxo-5,6,7,8-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-2-yl)acetamide?
The InChIKey is BNDPQEWADHFKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O2/c18-10-5-7-11(8-6-10)19-15(24)9-14-21-17-20-13-4-2-1-3-12(13)16(25)23(17)22-14/h5-8H,1-4,9H2,(H,19,24)(H,20,21,22).
What are the key properties of N-(4-chlorophenyl)-2-(9-oxo-5,6,7,8-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-2-yl)acetamide?
N-(4-chlorophenyl)-2-(9-oxo-5,6,7,8-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-2-yl)acetamide has a molecular weight of 357.80 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(9-oxo-5,6,7,8-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-2-yl)acetamide is sourced from PubChem (CID 18531489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).