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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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).