1-[(1-cyclopentyltetrazol-5-yl)methyl]-3,4-dihydro-2H-quinoline

C16H21N5 — CID 644687

IUPAC1-[(1-cyclopentyltetrazol-5-yl)methyl]-3,4-dihydro-2H-quinoline
SMILESc1ccc2c(c1)CCCN2Cc1nnnn1C1CCCC1
InChIInChI=1S/C16H21N5/c1-4-10-15-13(6-1)7-5-11-20(15)12-16-17-18-19-21(16)14-8-2-3-9-14/h1,4,6,10,14H,2-3,5,7-9,11-12H2
InChIKeyYBOSNPYCBGUYCB-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.74
Rot. Bonds3

About 1-[(1-cyclopentyltetrazol-5-yl)methyl]-3,4-dihydro-2H-quinoline

1-[(1-cyclopentyltetrazol-5-yl)methyl]-3,4-dihydro-2H-quinoline (PubChem CID 644687) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-[(1-cyclopentyltetrazol-5-yl)methyl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[(1-cyclopentyltetrazol-5-yl)methyl]-3,4-dihydro-2H-quinoline
PubChem CID644687
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name1-[(1-cyclopentyltetrazol-5-yl)methyl]-3,4-dihydro-2H-quinoline
SMILESc1ccc2c(c1)CCCN2Cc1nnnn1C1CCCC1
InChIInChI=1S/C16H21N5/c1-4-10-15-13(6-1)7-5-11-20(15)12-16-17-18-19-21(16)14-8-2-3-9-14/h1,4,6,10,14H,2-3,5,7-9,11-12H2
InChIKeyYBOSNPYCBGUYCB-UHFFFAOYSA-N
XLogP2.74
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentyltetrazol-5-yl)methyl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[(1-cyclopentyltetrazol-5-yl)methyl]-3,4-dihydro-2H-quinoline (CID 644687) is 1-[(1-cyclopentyltetrazol-5-yl)methyl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[(1-cyclopentyltetrazol-5-yl)methyl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[(1-cyclopentyltetrazol-5-yl)methyl]-3,4-dihydro-2H-quinoline is c1ccc2c(c1)CCCN2Cc1nnnn1C1CCCC1.
What is the InChIKey of 1-[(1-cyclopentyltetrazol-5-yl)methyl]-3,4-dihydro-2H-quinoline?
The InChIKey is YBOSNPYCBGUYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-4-10-15-13(6-1)7-5-11-20(15)12-16-17-18-19-21(16)14-8-2-3-9-14/h1,4,6,10,14H,2-3,5,7-9,11-12H2.
What are the key properties of 1-[(1-cyclopentyltetrazol-5-yl)methyl]-3,4-dihydro-2H-quinoline?
1-[(1-cyclopentyltetrazol-5-yl)methyl]-3,4-dihydro-2H-quinoline has a molecular weight of 283.38 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopentyltetrazol-5-yl)methyl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 644687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).