N-cyclopentyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide

C21H21N5O2 — CID 1466202

IUPACN-cyclopentyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide
SMILESCc1cccc2cc(CN(C(=O)c3ccco3)C3CCCC3)c3nnnn3c12
InChIInChI=1S/C21H21N5O2/c1-14-6-4-7-15-12-16(20-22-23-24-26(20)19(14)15)13-25(17-8-2-3-9-17)21(27)18-10-5-11-28-18/h4-7,10-12,17H,2-3,8-9,13H2,1H3
InChIKeyLFEBFRGTKLBHBD-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.76
Rot. Bonds4

About N-cyclopentyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide

N-cyclopentyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide (PubChem CID 1466202) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-cyclopentyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide
PubChem CID1466202
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-cyclopentyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide
SMILESCc1cccc2cc(CN(C(=O)c3ccco3)C3CCCC3)c3nnnn3c12
InChIInChI=1S/C21H21N5O2/c1-14-6-4-7-15-12-16(20-22-23-24-26(20)19(14)15)13-25(17-8-2-3-9-17)21(27)18-10-5-11-28-18/h4-7,10-12,17H,2-3,8-9,13H2,1H3
InChIKeyLFEBFRGTKLBHBD-UHFFFAOYSA-N
XLogP3.76
TPSA76.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-cyclopentyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide (CID 1466202) is N-cyclopentyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-cyclopentyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide is Cc1cccc2cc(CN(C(=O)c3ccco3)C3CCCC3)c3nnnn3c12.
What is the InChIKey of N-cyclopentyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide?
The InChIKey is LFEBFRGTKLBHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-14-6-4-7-15-12-16(20-22-23-24-26(20)19(14)15)13-25(17-8-2-3-9-17)21(27)18-10-5-11-28-18/h4-7,10-12,17H,2-3,8-9,13H2,1H3.
What are the key properties of N-cyclopentyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide?
N-cyclopentyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 1466202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).