N-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide

C23H20N6O3 — CID 651026

IUPACN-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1-c1nnn(CC(=O)N2CCCc3ccccc32)n1)c1ccco1
InChIInChI=1S/C23H20N6O3/c30-21(28-13-5-8-16-7-1-4-11-19(16)28)15-29-26-22(25-27-29)17-9-2-3-10-18(17)24-23(31)20-12-6-14-32-20/h1-4,6-7,9-12,14H,5,8,13,15H2,(H,24,31)
InChIKeyLHCXLFBGKSFXEW-UHFFFAOYSA-N
MW428.45 g/mol
LogP3.16
Rot. Bonds5

About N-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide

N-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide (PubChem CID 651026) has the molecular formula C23H20N6O3 and a molecular weight of 428.45 g/mol. Its IUPAC name is N-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide
PubChem CID651026
Molecular FormulaC23H20N6O3
Molecular Weight428.45 g/mol
Exact Mass428.16
IUPAC NameN-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1-c1nnn(CC(=O)N2CCCc3ccccc32)n1)c1ccco1
InChIInChI=1S/C23H20N6O3/c30-21(28-13-5-8-16-7-1-4-11-19(16)28)15-29-26-22(25-27-29)17-9-2-3-10-18(17)24-23(31)20-12-6-14-32-20/h1-4,6-7,9-12,14H,5,8,13,15H2,(H,24,31)
InChIKeyLHCXLFBGKSFXEW-UHFFFAOYSA-N
XLogP3.16
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Furan-2-carboxylic acid (2-{2-[2-(4-methoxy-phenyl)-2-oxo-ethyl]-2H-tetrazol-5-yl}-phenyl)-amide
CID 656033
N-[2-(2-{[(Furan-2-ylmethyl)-carbamoyl]-methyl}-2H-tetrazol-5-yl)-phenyl]-4-methoxy-benzamide
CID 644789
Furan-2-carboxylic acid [2-(2-phenylcarbamoylmethyl-2H-tetrazol-5-yl)-phenyl]-amide
CID 648033
2-Fluoro-N-[2-(2-{[(furan-2-ylmethyl)-carbamoyl]-methyl}-2H-tetrazol-5-yl)-phenyl]-benzamide
CID 648374
Furan-2-carboxylic acid [2-(2-cyclohexylcarbamoylmethyl-2H-tetrazol-5-yl)-phenyl]-amide
CID 649082
N-(Benzylcarbamoyl-methyl)-N-(2,3-dimethyl-phenyl)-2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetamide
CID 649774
N-tert-Butyl-2-((2-fluoro-phenyl)-{2-[5-(4-fluoro-phenyl)-tetrazol-2-yl]-acetyl}-amino)-2-furan-2-yl-acetamide
CID 649792
N-tert-Butyl-2-((3-fluoro-phenyl)-{2-[5-(4-fluoro-phenyl)-tetrazol-2-yl]-acetyl}-amino)-2-furan-2-yl-acetamide
CID 653521
N-[2-[2-[2-(4-methoxyanilino)-2-oxoethyl]-5-tetrazolyl]phenyl]-2-furancarboxamide
CID 653728
Furan-2-carboxylic acid (2-{2-[(2-methoxy-phenylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-amide
CID 654743
3-{(1-tert-Butyl-1H-tetrazol-5-yl)-[4-(furan-2-carbonyl)-piperazin-1-yl]-methyl}-8-methyl-1H-quinolin-2-one
CID 655555
N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide
CID 1153911

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide (CID 651026) is N-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide is O=C(Nc1ccccc1-c1nnn(CC(=O)N2CCCc3ccccc32)n1)c1ccco1.
What is the InChIKey of N-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide?
The InChIKey is LHCXLFBGKSFXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O3/c30-21(28-13-5-8-16-7-1-4-11-19(16)28)15-29-26-22(25-27-29)17-9-2-3-10-18(17)24-23(31)20-12-6-14-32-20/h1-4,6-7,9-12,14H,5,8,13,15H2,(H,24,31).
What are the key properties of N-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide?
N-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide has a molecular weight of 428.45 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 651026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).