4-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline

C20H18FN3 — CID 71276578

IUPAC4-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline
SMILESCc1cccc(-c2nc3c(c(-c4ccc(F)cc4)n2)CCCC3)n1
InChIInChI=1S/C20H18FN3/c1-13-5-4-8-18(22-13)20-23-17-7-3-2-6-16(17)19(24-20)14-9-11-15(21)12-10-14/h4-5,8-12H,2-3,6-7H2,1H3
InChIKeyPPRCZRAOUPHJFS-UHFFFAOYSA-N
MW319.38 g/mol
LogP4.53
Rot. Bonds2

About 4-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline

4-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline (PubChem CID 71276578) has the molecular formula C20H18FN3 and a molecular weight of 319.38 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline
PubChem CID71276578
Molecular FormulaC20H18FN3
Molecular Weight319.38 g/mol
Exact Mass319.15
IUPAC Name4-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline
SMILESCc1cccc(-c2nc3c(c(-c4ccc(F)cc4)n2)CCCC3)n1
InChIInChI=1S/C20H18FN3/c1-13-5-4-8-18(22-13)20-23-17-7-3-2-6-16(17)19(24-20)14-9-11-15(21)12-10-14/h4-5,8-12H,2-3,6-7H2,1H3
InChIKeyPPRCZRAOUPHJFS-UHFFFAOYSA-N
XLogP4.53
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 4-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline (CID 71276578) is 4-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 4-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 4-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline is Cc1cccc(-c2nc3c(c(-c4ccc(F)cc4)n2)CCCC3)n1.
What is the InChIKey of 4-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline?
The InChIKey is PPRCZRAOUPHJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3/c1-13-5-4-8-18(22-13)20-23-17-7-3-2-6-16(17)19(24-20)14-9-11-15(21)12-10-14/h4-5,8-12H,2-3,6-7H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline?
4-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline has a molecular weight of 319.38 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 71276578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).