2-methyl-3-pentyl-2H-quinazoline

C14H20N2 — CID 70386974

IUPAC2-methyl-3-pentyl-2H-quinazoline
SMILESCCCCCN1C=c2ccccc2=NC1C
InChIInChI=1S/C14H20N2/c1-3-4-7-10-16-11-13-8-5-6-9-14(13)15-12(16)2/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3
InChIKeyJQCUNRGNACCYMO-UHFFFAOYSA-N
MW216.33 g/mol
LogP1.90
Rot. Bonds4

About 2-methyl-3-pentyl-2H-quinazoline

2-methyl-3-pentyl-2H-quinazoline (PubChem CID 70386974) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-methyl-3-pentyl-2H-quinazoline.

Molecular Properties

Compound Name2-methyl-3-pentyl-2H-quinazoline
PubChem CID70386974
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-methyl-3-pentyl-2H-quinazoline
SMILESCCCCCN1C=c2ccccc2=NC1C
InChIInChI=1S/C14H20N2/c1-3-4-7-10-16-11-13-8-5-6-9-14(13)15-12(16)2/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3
InChIKeyJQCUNRGNACCYMO-UHFFFAOYSA-N
XLogP1.90
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-pentyl-2H-quinazoline?
The IUPAC name of 2-methyl-3-pentyl-2H-quinazoline (CID 70386974) is 2-methyl-3-pentyl-2H-quinazoline.
What is the SMILES notation for 2-methyl-3-pentyl-2H-quinazoline?
The canonical SMILES for 2-methyl-3-pentyl-2H-quinazoline is CCCCCN1C=c2ccccc2=NC1C.
What is the InChIKey of 2-methyl-3-pentyl-2H-quinazoline?
The InChIKey is JQCUNRGNACCYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-3-4-7-10-16-11-13-8-5-6-9-14(13)15-12(16)2/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3.
What are the key properties of 2-methyl-3-pentyl-2H-quinazoline?
2-methyl-3-pentyl-2H-quinazoline has a molecular weight of 216.33 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-pentyl-2H-quinazoline is sourced from PubChem (CID 70386974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).