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

C22H16ClN5O2 — CID 11742718

IUPAC(2R)-N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-2-phenylpropanamide
SMILESC[C@@H](C(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12)c1ccccc1
InChIInChI=1S/C22H16ClN5O2/c1-13(14-6-3-2-4-7-14)21(29)26-22-24-17-10-9-15(23)12-16(17)20-25-19(27-28(20)22)18-8-5-11-30-18/h2-13H,1H3,(H,24,26,29)/t13-/m1/s1
InChIKeyUXCSHAYCUHVVKW-CYBMUJFWSA-N
MW417.86 g/mol
LogP4.93
Rot. Bonds4

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

(2R)-N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-2-phenylpropanamide (PubChem CID 11742718) has the molecular formula C22H16ClN5O2 and a molecular weight of 417.86 g/mol. Its IUPAC name is (2R)-N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-2-phenylpropanamide.

Molecular Properties

Compound Name(2R)-N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-2-phenylpropanamide
PubChem CID11742718
Molecular FormulaC22H16ClN5O2
Molecular Weight417.86 g/mol
Exact Mass417.10
IUPAC Name(2R)-N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-2-phenylpropanamide
SMILESC[C@@H](C(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12)c1ccccc1
InChIInChI=1S/C22H16ClN5O2/c1-13(14-6-3-2-4-7-14)21(29)26-22-24-17-10-9-15(23)12-16(17)20-25-19(27-28(20)22)18-8-5-11-30-18/h2-13H,1H3,(H,24,26,29)/t13-/m1/s1
InChIKeyUXCSHAYCUHVVKW-CYBMUJFWSA-N
XLogP4.93
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.86
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-2-phenylpropanamide 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
N-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-2,2-diphenyl-acetamide
CID 10552717
(S)-N-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-2-phenyl-propionamide
CID 10621898
N-[6-methyl-1-(2-methylpropyl)-3-pyrazolo[3,4-b]quinolinyl]-2-furancarboxamide
CID 939495

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-2-phenylpropanamide?
The IUPAC name of (2R)-N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-2-phenylpropanamide (CID 11742718) is (2R)-N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-2-phenylpropanamide.
What is the SMILES notation for (2R)-N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-2-phenylpropanamide?
The canonical SMILES for (2R)-N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-2-phenylpropanamide is C[C@@H](C(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12)c1ccccc1.
What is the InChIKey of (2R)-N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-2-phenylpropanamide?
The InChIKey is UXCSHAYCUHVVKW-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H16ClN5O2/c1-13(14-6-3-2-4-7-14)21(29)26-22-24-17-10-9-15(23)12-16(17)20-25-19(27-28(20)22)18-8-5-11-30-18/h2-13H,1H3,(H,24,26,29)/t13-/m1/s1.
What are the key properties of (2R)-N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-2-phenylpropanamide?
(2R)-N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-2-phenylpropanamide has a molecular weight of 417.86 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-2-phenylpropanamide is sourced from PubChem (CID 11742718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).