2-heptan-3-ylquinazoline

C15H20N2 — CID 70306859

IUPAC2-heptan-3-ylquinazoline
SMILESCCCCC(CC)c1ncc2ccccc2n1
InChIInChI=1S/C15H20N2/c1-3-5-8-12(4-2)15-16-11-13-9-6-7-10-14(13)17-15/h6-7,9-12H,3-5,8H2,1-2H3
InChIKeyTWTMHWNFQUVXPL-UHFFFAOYSA-N
MW228.34 g/mol
LogP4.31
Rot. Bonds5

About 2-heptan-3-ylquinazoline

2-heptan-3-ylquinazoline (PubChem CID 70306859) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-heptan-3-ylquinazoline.

Molecular Properties

Compound Name2-heptan-3-ylquinazoline
PubChem CID70306859
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name2-heptan-3-ylquinazoline
SMILESCCCCC(CC)c1ncc2ccccc2n1
InChIInChI=1S/C15H20N2/c1-3-5-8-12(4-2)15-16-11-13-9-6-7-10-14(13)17-15/h6-7,9-12H,3-5,8H2,1-2H3
InChIKeyTWTMHWNFQUVXPL-UHFFFAOYSA-N
XLogP4.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-heptan-3-ylquinazoline?
The IUPAC name of 2-heptan-3-ylquinazoline (CID 70306859) is 2-heptan-3-ylquinazoline.
What is the SMILES notation for 2-heptan-3-ylquinazoline?
The canonical SMILES for 2-heptan-3-ylquinazoline is CCCCC(CC)c1ncc2ccccc2n1.
What is the InChIKey of 2-heptan-3-ylquinazoline?
The InChIKey is TWTMHWNFQUVXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-3-5-8-12(4-2)15-16-11-13-9-6-7-10-14(13)17-15/h6-7,9-12H,3-5,8H2,1-2H3.
What are the key properties of 2-heptan-3-ylquinazoline?
2-heptan-3-ylquinazoline has a molecular weight of 228.34 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptan-3-ylquinazoline is sourced from PubChem (CID 70306859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).