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

C22H23N5O2 — CID 1466214

IUPACN-cyclohexyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide
SMILESCc1cccc2cc(CN(C(=O)c3ccco3)C3CCCCC3)c3nnnn3c12
InChIInChI=1S/C22H23N5O2/c1-15-7-5-8-16-13-17(21-23-24-25-27(21)20(15)16)14-26(18-9-3-2-4-10-18)22(28)19-11-6-12-29-19/h5-8,11-13,18H,2-4,9-10,14H2,1H3
InChIKeyYLJIRUNTEVKSPG-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.15
Rot. Bonds4

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

N-cyclohexyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide (PubChem CID 1466214) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-cyclohexyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide
PubChem CID1466214
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-cyclohexyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide
SMILESCc1cccc2cc(CN(C(=O)c3ccco3)C3CCCCC3)c3nnnn3c12
InChIInChI=1S/C22H23N5O2/c1-15-7-5-8-16-13-17(21-23-24-25-27(21)20(15)16)14-26(18-9-3-2-4-10-18)22(28)19-11-6-12-29-19/h5-8,11-13,18H,2-4,9-10,14H2,1H3
InChIKeyYLJIRUNTEVKSPG-UHFFFAOYSA-N
XLogP4.15
TPSA76.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-cyclohexyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide (CID 1466214) is N-cyclohexyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-cyclohexyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide is Cc1cccc2cc(CN(C(=O)c3ccco3)C3CCCCC3)c3nnnn3c12.
What is the InChIKey of N-cyclohexyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide?
The InChIKey is YLJIRUNTEVKSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-15-7-5-8-16-13-17(21-23-24-25-27(21)20(15)16)14-26(18-9-3-2-4-10-18)22(28)19-11-6-12-29-19/h5-8,11-13,18H,2-4,9-10,14H2,1H3.
What are the key properties of N-cyclohexyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide?
N-cyclohexyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 1466214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).