4-(4-bromophenyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline

C17H17BrN2 — CID 25188277

IUPAC4-(4-bromophenyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline
SMILESBrc1ccc(N2Cc3ccccc3N3CCCC23)cc1
InChIInChI=1S/C17H17BrN2/c18-14-7-9-15(10-8-14)20-12-13-4-1-2-5-16(13)19-11-3-6-17(19)20/h1-2,4-5,7-10,17H,3,6,11-12H2
InChIKeySTWVSLRCFXVPMW-UHFFFAOYSA-N
MW329.24 g/mol
LogP4.40
Rot. Bonds1

About 4-(4-bromophenyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline

4-(4-bromophenyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline (PubChem CID 25188277) has the molecular formula C17H17BrN2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline.

Molecular Properties

Compound Name4-(4-bromophenyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline
PubChem CID25188277
Molecular FormulaC17H17BrN2
Molecular Weight329.24 g/mol
Exact Mass328.06
IUPAC Name4-(4-bromophenyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline
SMILESBrc1ccc(N2Cc3ccccc3N3CCCC23)cc1
InChIInChI=1S/C17H17BrN2/c18-14-7-9-15(10-8-14)20-12-13-4-1-2-5-16(13)19-11-3-6-17(19)20/h1-2,4-5,7-10,17H,3,6,11-12H2
InChIKeySTWVSLRCFXVPMW-UHFFFAOYSA-N
XLogP4.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline?
The IUPAC name of 4-(4-bromophenyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline (CID 25188277) is 4-(4-bromophenyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline.
What is the SMILES notation for 4-(4-bromophenyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline?
The canonical SMILES for 4-(4-bromophenyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline is Brc1ccc(N2Cc3ccccc3N3CCCC23)cc1.
What is the InChIKey of 4-(4-bromophenyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline?
The InChIKey is STWVSLRCFXVPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2/c18-14-7-9-15(10-8-14)20-12-13-4-1-2-5-16(13)19-11-3-6-17(19)20/h1-2,4-5,7-10,17H,3,6,11-12H2.
What are the key properties of 4-(4-bromophenyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline?
4-(4-bromophenyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline has a molecular weight of 329.24 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline is sourced from PubChem (CID 25188277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).