4-ethyl-2-(3-methylbutyl)-6-pyridin-4-ylquinazoline

C20H23N3 — CID 121255765

IUPAC4-ethyl-2-(3-methylbutyl)-6-pyridin-4-ylquinazoline
SMILESCCc1nc(CCC(C)C)nc2ccc(-c3ccncc3)cc12
InChIInChI=1S/C20H23N3/c1-4-18-17-13-16(15-9-11-21-12-10-15)6-7-19(17)23-20(22-18)8-5-14(2)3/h6-7,9-14H,4-5,8H2,1-3H3
InChIKeyFPGOSDRIVBILFF-UHFFFAOYSA-N
MW305.43 g/mol
LogP4.84
Rot. Bonds5

About 4-ethyl-2-(3-methylbutyl)-6-pyridin-4-ylquinazoline

4-ethyl-2-(3-methylbutyl)-6-pyridin-4-ylquinazoline (PubChem CID 121255765) has the molecular formula C20H23N3 and a molecular weight of 305.43 g/mol. Its IUPAC name is 4-ethyl-2-(3-methylbutyl)-6-pyridin-4-ylquinazoline.

Molecular Properties

Compound Name4-ethyl-2-(3-methylbutyl)-6-pyridin-4-ylquinazoline
PubChem CID121255765
Molecular FormulaC20H23N3
Molecular Weight305.43 g/mol
Exact Mass305.19
IUPAC Name4-ethyl-2-(3-methylbutyl)-6-pyridin-4-ylquinazoline
SMILESCCc1nc(CCC(C)C)nc2ccc(-c3ccncc3)cc12
InChIInChI=1S/C20H23N3/c1-4-18-17-13-16(15-9-11-21-12-10-15)6-7-19(17)23-20(22-18)8-5-14(2)3/h6-7,9-14H,4-5,8H2,1-3H3
InChIKeyFPGOSDRIVBILFF-UHFFFAOYSA-N
XLogP4.84
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(3-methylbutyl)-6-pyridin-4-ylquinazoline?
The IUPAC name of 4-ethyl-2-(3-methylbutyl)-6-pyridin-4-ylquinazoline (CID 121255765) is 4-ethyl-2-(3-methylbutyl)-6-pyridin-4-ylquinazoline.
What is the SMILES notation for 4-ethyl-2-(3-methylbutyl)-6-pyridin-4-ylquinazoline?
The canonical SMILES for 4-ethyl-2-(3-methylbutyl)-6-pyridin-4-ylquinazoline is CCc1nc(CCC(C)C)nc2ccc(-c3ccncc3)cc12.
What is the InChIKey of 4-ethyl-2-(3-methylbutyl)-6-pyridin-4-ylquinazoline?
The InChIKey is FPGOSDRIVBILFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3/c1-4-18-17-13-16(15-9-11-21-12-10-15)6-7-19(17)23-20(22-18)8-5-14(2)3/h6-7,9-14H,4-5,8H2,1-3H3.
What are the key properties of 4-ethyl-2-(3-methylbutyl)-6-pyridin-4-ylquinazoline?
4-ethyl-2-(3-methylbutyl)-6-pyridin-4-ylquinazoline has a molecular weight of 305.43 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(3-methylbutyl)-6-pyridin-4-ylquinazoline is sourced from PubChem (CID 121255765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).