3-butan-2-yl-1-ethyl-2-(2-fluorophenyl)-2,4-dihydroquinazoline

C20H25FN2 — CID 5015285

IUPAC3-butan-2-yl-1-ethyl-2-(2-fluorophenyl)-2,4-dihydroquinazoline
SMILESCCC(C)N1Cc2ccccc2N(CC)C1c1ccccc1F
InChIInChI=1S/C20H25FN2/c1-4-15(3)23-14-16-10-6-9-13-19(16)22(5-2)20(23)17-11-7-8-12-18(17)21/h6-13,15,20H,4-5,14H2,1-3H3
InChIKeyRODLRMNVEAZBRE-UHFFFAOYSA-N
MW312.43 g/mol
LogP4.96
Rot. Bonds4

About 3-butan-2-yl-1-ethyl-2-(2-fluorophenyl)-2,4-dihydroquinazoline

3-butan-2-yl-1-ethyl-2-(2-fluorophenyl)-2,4-dihydroquinazoline (PubChem CID 5015285) has the molecular formula C20H25FN2 and a molecular weight of 312.43 g/mol. Its IUPAC name is 3-butan-2-yl-1-ethyl-2-(2-fluorophenyl)-2,4-dihydroquinazoline.

Molecular Properties

Compound Name3-butan-2-yl-1-ethyl-2-(2-fluorophenyl)-2,4-dihydroquinazoline
PubChem CID5015285
Molecular FormulaC20H25FN2
Molecular Weight312.43 g/mol
Exact Mass312.20
IUPAC Name3-butan-2-yl-1-ethyl-2-(2-fluorophenyl)-2,4-dihydroquinazoline
SMILESCCC(C)N1Cc2ccccc2N(CC)C1c1ccccc1F
InChIInChI=1S/C20H25FN2/c1-4-15(3)23-14-16-10-6-9-13-19(16)22(5-2)20(23)17-11-7-8-12-18(17)21/h6-13,15,20H,4-5,14H2,1-3H3
InChIKeyRODLRMNVEAZBRE-UHFFFAOYSA-N
XLogP4.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-ethyl-2-(2-fluorophenyl)-2,4-dihydroquinazoline?
The IUPAC name of 3-butan-2-yl-1-ethyl-2-(2-fluorophenyl)-2,4-dihydroquinazoline (CID 5015285) is 3-butan-2-yl-1-ethyl-2-(2-fluorophenyl)-2,4-dihydroquinazoline.
What is the SMILES notation for 3-butan-2-yl-1-ethyl-2-(2-fluorophenyl)-2,4-dihydroquinazoline?
The canonical SMILES for 3-butan-2-yl-1-ethyl-2-(2-fluorophenyl)-2,4-dihydroquinazoline is CCC(C)N1Cc2ccccc2N(CC)C1c1ccccc1F.
What is the InChIKey of 3-butan-2-yl-1-ethyl-2-(2-fluorophenyl)-2,4-dihydroquinazoline?
The InChIKey is RODLRMNVEAZBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2/c1-4-15(3)23-14-16-10-6-9-13-19(16)22(5-2)20(23)17-11-7-8-12-18(17)21/h6-13,15,20H,4-5,14H2,1-3H3.
What are the key properties of 3-butan-2-yl-1-ethyl-2-(2-fluorophenyl)-2,4-dihydroquinazoline?
3-butan-2-yl-1-ethyl-2-(2-fluorophenyl)-2,4-dihydroquinazoline has a molecular weight of 312.43 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-ethyl-2-(2-fluorophenyl)-2,4-dihydroquinazoline is sourced from PubChem (CID 5015285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).