2-[[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methyl]-5-methylidene-4H-pyrrolo[1,2-a]quinazoline

C24H25FN4O — CID 118630218

IUPAC2-[[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methyl]-5-methylidene-4H-pyrrolo[1,2-a]quinazoline
SMILESC=C1Nc2cc(CN3CCN(c4ccc(F)cc4OC)CC3)cn2-c2ccccc21
InChIInChI=1S/C24H25FN4O/c1-17-20-5-3-4-6-21(20)29-16-18(13-24(29)26-17)15-27-9-11-28(12-10-27)22-8-7-19(25)14-23(22)30-2/h3-8,13-14,16,26H,1,9-12,15H2,2H3
InChIKeyHGKRLBVYKNLRER-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.34
Rot. Bonds4

About 2-[[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methyl]-5-methylidene-4H-pyrrolo[1,2-a]quinazoline

2-[[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methyl]-5-methylidene-4H-pyrrolo[1,2-a]quinazoline (PubChem CID 118630218) has the molecular formula C24H25FN4O and a molecular weight of 404.49 g/mol. Its IUPAC name is 2-[[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methyl]-5-methylidene-4H-pyrrolo[1,2-a]quinazoline.

Molecular Properties

Compound Name2-[[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methyl]-5-methylidene-4H-pyrrolo[1,2-a]quinazoline
PubChem CID118630218
Molecular FormulaC24H25FN4O
Molecular Weight404.49 g/mol
Exact Mass404.20
IUPAC Name2-[[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methyl]-5-methylidene-4H-pyrrolo[1,2-a]quinazoline
SMILESC=C1Nc2cc(CN3CCN(c4ccc(F)cc4OC)CC3)cn2-c2ccccc21
InChIInChI=1S/C24H25FN4O/c1-17-20-5-3-4-6-21(20)29-16-18(13-24(29)26-17)15-27-9-11-28(12-10-27)22-8-7-19(25)14-23(22)30-2/h3-8,13-14,16,26H,1,9-12,15H2,2H3
InChIKeyHGKRLBVYKNLRER-UHFFFAOYSA-N
XLogP4.34
TPSA32.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methyl]-5-methylidene-4H-pyrrolo[1,2-a]quinazoline?
The IUPAC name of 2-[[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methyl]-5-methylidene-4H-pyrrolo[1,2-a]quinazoline (CID 118630218) is 2-[[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methyl]-5-methylidene-4H-pyrrolo[1,2-a]quinazoline.
What is the SMILES notation for 2-[[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methyl]-5-methylidene-4H-pyrrolo[1,2-a]quinazoline?
The canonical SMILES for 2-[[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methyl]-5-methylidene-4H-pyrrolo[1,2-a]quinazoline is C=C1Nc2cc(CN3CCN(c4ccc(F)cc4OC)CC3)cn2-c2ccccc21.
What is the InChIKey of 2-[[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methyl]-5-methylidene-4H-pyrrolo[1,2-a]quinazoline?
The InChIKey is HGKRLBVYKNLRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O/c1-17-20-5-3-4-6-21(20)29-16-18(13-24(29)26-17)15-27-9-11-28(12-10-27)22-8-7-19(25)14-23(22)30-2/h3-8,13-14,16,26H,1,9-12,15H2,2H3.
What are the key properties of 2-[[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methyl]-5-methylidene-4H-pyrrolo[1,2-a]quinazoline?
2-[[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methyl]-5-methylidene-4H-pyrrolo[1,2-a]quinazoline has a molecular weight of 404.49 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methyl]-5-methylidene-4H-pyrrolo[1,2-a]quinazoline is sourced from PubChem (CID 118630218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).