N-(furan-2-ylmethyl)-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide

C21H17N5O3 — CID 3397535

IUPACN-(furan-2-ylmethyl)-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide
SMILESCc1ccc2cc(CN(Cc3ccco3)C(=O)c3ccco3)c3nnnn3c2c1
InChIInChI=1S/C21H17N5O3/c1-14-6-7-15-11-16(20-22-23-24-26(20)18(15)10-14)12-25(13-17-4-2-8-28-17)21(27)19-5-3-9-29-19/h2-11H,12-13H2,1H3
InChIKeyZMYYBNICWJAKOG-UHFFFAOYSA-N
MW387.40 g/mol
LogP3.61
Rot. Bonds5

About N-(furan-2-ylmethyl)-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide

N-(furan-2-ylmethyl)-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide (PubChem CID 3397535) has the molecular formula C21H17N5O3 and a molecular weight of 387.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide
PubChem CID3397535
Molecular FormulaC21H17N5O3
Molecular Weight387.40 g/mol
Exact Mass387.13
IUPAC NameN-(furan-2-ylmethyl)-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide
SMILESCc1ccc2cc(CN(Cc3ccco3)C(=O)c3ccco3)c3nnnn3c2c1
InChIInChI=1S/C21H17N5O3/c1-14-6-7-15-11-16(20-22-23-24-26(20)18(15)10-14)12-25(13-17-4-2-8-28-17)21(27)19-5-3-9-29-19/h2-11H,12-13H2,1H3
InChIKeyZMYYBNICWJAKOG-UHFFFAOYSA-N
XLogP3.61
TPSA89.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide (CID 3397535) is N-(furan-2-ylmethyl)-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide is Cc1ccc2cc(CN(Cc3ccco3)C(=O)c3ccco3)c3nnnn3c2c1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide?
The InChIKey is ZMYYBNICWJAKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O3/c1-14-6-7-15-11-16(20-22-23-24-26(20)18(15)10-14)12-25(13-17-4-2-8-28-17)21(27)19-5-3-9-29-19/h2-11H,12-13H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide?
N-(furan-2-ylmethyl)-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide has a molecular weight of 387.40 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 3397535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).