N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-quinazolin-4-ylpyrrolidine-2-carboxamide

C20H19N7O2 — CID 71844898

IUPACN-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-quinazolin-4-ylpyrrolidine-2-carboxamide
SMILESO=C(NCc1nc(-c2ccco2)n[nH]1)C1CCCN1c1ncnc2ccccc12
InChIInChI=1S/C20H19N7O2/c28-20(21-11-17-24-18(26-25-17)16-8-4-10-29-16)15-7-3-9-27(15)19-13-5-1-2-6-14(13)22-12-23-19/h1-2,4-6,8,10,12,15H,3,7,9,11H2,(H,21,28)(H,24,25,26)
InChIKeyHZSNVGKQLUHDIO-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.29
Rot. Bonds5

About N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-quinazolin-4-ylpyrrolidine-2-carboxamide

N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-quinazolin-4-ylpyrrolidine-2-carboxamide (PubChem CID 71844898) has the molecular formula C20H19N7O2 and a molecular weight of 389.42 g/mol. Its IUPAC name is N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-quinazolin-4-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-quinazolin-4-ylpyrrolidine-2-carboxamide
PubChem CID71844898
Molecular FormulaC20H19N7O2
Molecular Weight389.42 g/mol
Exact Mass389.16
IUPAC NameN-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-quinazolin-4-ylpyrrolidine-2-carboxamide
SMILESO=C(NCc1nc(-c2ccco2)n[nH]1)C1CCCN1c1ncnc2ccccc12
InChIInChI=1S/C20H19N7O2/c28-20(21-11-17-24-18(26-25-17)16-8-4-10-29-16)15-7-3-9-27(15)19-13-5-1-2-6-14(13)22-12-23-19/h1-2,4-6,8,10,12,15H,3,7,9,11H2,(H,21,28)(H,24,25,26)
InChIKeyHZSNVGKQLUHDIO-UHFFFAOYSA-N
XLogP2.29
TPSA112.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-quinazolin-4-ylpyrrolidine-2-carboxamide with MolForge

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Related Compounds

N-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]-1-quinazolin-4-ylpyrrolidine-2-carboxamide
CID 167804968
N-(4-acetylphenyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide
CID 42884115
N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]thiolane-3-carboxamide
CID 154862449
N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxamide
CID 154868547
N-(1-phenylethyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide
CID 110436322
N-(4-chloro-2-fluorophenyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide
CID 42930849
(2R)-N-(furan-2-ylmethyl)-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide
CID 99636793
(2R)-N-(furan-2-ylmethyl)-1-furo[3,2-c]pyridin-4-ylpyrrolidine-2-carboxamide
CID 99636760
1-cyclopropyl-1-[(1S)-1-(furan-2-yl)ethyl]-3-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]urea
CID 97048766
(3-methylpiperidin-1-yl)-(1-quinazolin-4-ylpyrrolidin-2-yl)methanone
CID 110437049
N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 56827435
(2S)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-benzylpyrrolidine-2-carboxamide
CID 91763258

Frequently Asked Questions

What is the IUPAC name of N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-quinazolin-4-ylpyrrolidine-2-carboxamide?
The IUPAC name of N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-quinazolin-4-ylpyrrolidine-2-carboxamide (CID 71844898) is N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-quinazolin-4-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-quinazolin-4-ylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-quinazolin-4-ylpyrrolidine-2-carboxamide is O=C(NCc1nc(-c2ccco2)n[nH]1)C1CCCN1c1ncnc2ccccc12.
What is the InChIKey of N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-quinazolin-4-ylpyrrolidine-2-carboxamide?
The InChIKey is HZSNVGKQLUHDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O2/c28-20(21-11-17-24-18(26-25-17)16-8-4-10-29-16)15-7-3-9-27(15)19-13-5-1-2-6-14(13)22-12-23-19/h1-2,4-6,8,10,12,15H,3,7,9,11H2,(H,21,28)(H,24,25,26).
What are the key properties of N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-quinazolin-4-ylpyrrolidine-2-carboxamide?
N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-quinazolin-4-ylpyrrolidine-2-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-quinazolin-4-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 71844898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).