N-cyclopentyl-N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]cyclobutanecarboxamide

C22H27N5O — CID 1459577

IUPACN-cyclopentyl-N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]cyclobutanecarboxamide
SMILESCc1ccc2cc(CN(C(=O)C3CCC3)C3CCCC3)c3nnnn3c2c1C
InChIInChI=1S/C22H27N5O/c1-14-10-11-17-12-18(21-23-24-25-27(21)20(17)15(14)2)13-26(19-8-3-4-9-19)22(28)16-6-5-7-16/h10-12,16,19H,3-9,13H2,1-2H3
InChIKeyAORDYDNUKRJQIN-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.97
Rot. Bonds4

About N-cyclopentyl-N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]cyclobutanecarboxamide

N-cyclopentyl-N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]cyclobutanecarboxamide (PubChem CID 1459577) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is N-cyclopentyl-N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]cyclobutanecarboxamide
PubChem CID1459577
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC NameN-cyclopentyl-N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]cyclobutanecarboxamide
SMILESCc1ccc2cc(CN(C(=O)C3CCC3)C3CCCC3)c3nnnn3c2c1C
InChIInChI=1S/C22H27N5O/c1-14-10-11-17-12-18(21-23-24-25-27(21)20(17)15(14)2)13-26(19-8-3-4-9-19)22(28)16-6-5-7-16/h10-12,16,19H,3-9,13H2,1-2H3
InChIKeyAORDYDNUKRJQIN-UHFFFAOYSA-N
XLogP3.97
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]cyclobutanecarboxamide?
The IUPAC name of N-cyclopentyl-N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]cyclobutanecarboxamide (CID 1459577) is N-cyclopentyl-N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-cyclopentyl-N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]cyclobutanecarboxamide?
The canonical SMILES for N-cyclopentyl-N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]cyclobutanecarboxamide is Cc1ccc2cc(CN(C(=O)C3CCC3)C3CCCC3)c3nnnn3c2c1C.
What is the InChIKey of N-cyclopentyl-N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]cyclobutanecarboxamide?
The InChIKey is AORDYDNUKRJQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-14-10-11-17-12-18(21-23-24-25-27(21)20(17)15(14)2)13-26(19-8-3-4-9-19)22(28)16-6-5-7-16/h10-12,16,19H,3-9,13H2,1-2H3.
What are the key properties of N-cyclopentyl-N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]cyclobutanecarboxamide?
N-cyclopentyl-N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]cyclobutanecarboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]cyclobutanecarboxamide is sourced from PubChem (CID 1459577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).