4-(2-methylpropyl)-6-(2H-tetrazol-5-yl)quinoline

C14H15N5 — CID 170001506

IUPAC4-(2-methylpropyl)-6-(2H-tetrazol-5-yl)quinoline
SMILESCC(C)Cc1ccnc2ccc(-c3nn[nH]n3)cc12
InChIInChI=1S/C14H15N5/c1-9(2)7-10-5-6-15-13-4-3-11(8-12(10)13)14-16-18-19-17-14/h3-6,8-9H,7H2,1-2H3,(H,16,17,18,19)
InChIKeyRHLYECDDIGOMKT-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.61
Rot. Bonds3

About 4-(2-methylpropyl)-6-(2H-tetrazol-5-yl)quinoline

4-(2-methylpropyl)-6-(2H-tetrazol-5-yl)quinoline (PubChem CID 170001506) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-(2-methylpropyl)-6-(2H-tetrazol-5-yl)quinoline.

Molecular Properties

Compound Name4-(2-methylpropyl)-6-(2H-tetrazol-5-yl)quinoline
PubChem CID170001506
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name4-(2-methylpropyl)-6-(2H-tetrazol-5-yl)quinoline
SMILESCC(C)Cc1ccnc2ccc(-c3nn[nH]n3)cc12
InChIInChI=1S/C14H15N5/c1-9(2)7-10-5-6-15-13-4-3-11(8-12(10)13)14-16-18-19-17-14/h3-6,8-9H,7H2,1-2H3,(H,16,17,18,19)
InChIKeyRHLYECDDIGOMKT-UHFFFAOYSA-N
XLogP2.61
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-6-(2H-tetrazol-5-yl)quinoline?
The IUPAC name of 4-(2-methylpropyl)-6-(2H-tetrazol-5-yl)quinoline (CID 170001506) is 4-(2-methylpropyl)-6-(2H-tetrazol-5-yl)quinoline.
What is the SMILES notation for 4-(2-methylpropyl)-6-(2H-tetrazol-5-yl)quinoline?
The canonical SMILES for 4-(2-methylpropyl)-6-(2H-tetrazol-5-yl)quinoline is CC(C)Cc1ccnc2ccc(-c3nn[nH]n3)cc12.
What is the InChIKey of 4-(2-methylpropyl)-6-(2H-tetrazol-5-yl)quinoline?
The InChIKey is RHLYECDDIGOMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-9(2)7-10-5-6-15-13-4-3-11(8-12(10)13)14-16-18-19-17-14/h3-6,8-9H,7H2,1-2H3,(H,16,17,18,19).
What are the key properties of 4-(2-methylpropyl)-6-(2H-tetrazol-5-yl)quinoline?
4-(2-methylpropyl)-6-(2H-tetrazol-5-yl)quinoline has a molecular weight of 253.31 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-6-(2H-tetrazol-5-yl)quinoline is sourced from PubChem (CID 170001506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).