N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-2,2-diphenylacetamide

C27H18ClN5O2 — CID 10552717

IUPACN-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-2,2-diphenylacetamide
SMILESO=C(Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H18ClN5O2/c28-19-13-14-21-20(16-19)25-30-24(22-12-7-15-35-22)32-33(25)27(29-21)31-26(34)23(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-16,23H,(H,29,31,34)
InChIKeyQIDNMRQLLPNOCJ-UHFFFAOYSA-N
MW479.93 g/mol
LogP5.96
Rot. Bonds5

About N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-2,2-diphenylacetamide

N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-2,2-diphenylacetamide (PubChem CID 10552717) has the molecular formula C27H18ClN5O2 and a molecular weight of 479.93 g/mol. Its IUPAC name is N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-2,2-diphenylacetamide
PubChem CID10552717
Molecular FormulaC27H18ClN5O2
Molecular Weight479.93 g/mol
Exact Mass479.11
IUPAC NameN-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-2,2-diphenylacetamide
SMILESO=C(Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H18ClN5O2/c28-19-13-14-21-20(16-19)25-30-24(22-12-7-15-35-22)32-33(25)27(29-21)31-26(34)23(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-16,23H,(H,29,31,34)
InChIKeyQIDNMRQLLPNOCJ-UHFFFAOYSA-N
XLogP5.96
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.93
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-2,2-diphenylacetamide with MolForge

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Related Compounds

Mrs-1220
CID 393595
9-Chloro-2-(2-furanyl)(1,2,4)triazolo(1,5-c)quinazolin-5-amine
CID 2690
Mrs1177
CID 10045876
Mrs1186
CID 10065929
1-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-3-(3-chloro-phenyl)-urea
CID 10225178
1-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-3-(4-methoxy-phenyl)-urea
CID 10296638
Cgs 15696
CID 135554424
N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]furan-2-carboxamide
CID 938552
9-Chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;methanesulfonic acid
CID 14031927
(S)-N-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-2-phenyl-propionamide
CID 10621898
(R)-N-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-2-phenyl-propionamide
CID 11742718
N-(1-propyl-1H-pyrazolo[3,4-b]quinolin-3-yl)-2-furamide
CID 944687

Frequently Asked Questions

What is the IUPAC name of N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-2,2-diphenylacetamide?
The IUPAC name of N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-2,2-diphenylacetamide (CID 10552717) is N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-2,2-diphenylacetamide?
The canonical SMILES for N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-2,2-diphenylacetamide is O=C(Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-2,2-diphenylacetamide?
The InChIKey is QIDNMRQLLPNOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18ClN5O2/c28-19-13-14-21-20(16-19)25-30-24(22-12-7-15-35-22)32-33(25)27(29-21)31-26(34)23(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-16,23H,(H,29,31,34).
What are the key properties of N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-2,2-diphenylacetamide?
N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-2,2-diphenylacetamide has a molecular weight of 479.93 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 10552717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).